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Record - 1 of 53   [TOP]
Compound IDNVIC0005
Compound Structure
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InhibitorEthyl 4-[3-(2,4-dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191025
Drug Bank ID
ChemSpider ID 24627369
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
Molecular Weight (in g/mol)549.424
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)4000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.74
PSA82.19
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 2 of 53   [TOP]
Compound IDNVIC0006
Compound Structure
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InhibitorEthyl 1-[3-(2,4-Dichlorobenzylcarbamoyl)-1-ethyl-6
PubChem ID 44191024
Drug Bank ID
ChemSpider ID 24624033
SMILESCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)C(=O)OCC)F)C(=O)NCC4=C(C=C(C=C4)Cl)Cl
Molecular Weight (in g/mol)548.436
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor10
H-bond Donor1
No. of Rotatable Bond Count9
XLogP5.38
PSA78.95
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 3 of 53   [TOP]
Compound IDNVIC0007
Compound Structure
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InhibitorEthyl 4-[1-cyclopropyl-3-(2,4-dichlorobenzylcarbam
PubChem ID 44191117
Drug Bank ID
ChemSpider ID 24618777
SMILESCCOC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)NCC4=C(C=C(C=C4)Cl)Cl)C5CC5)F
Molecular Weight (in g/mol)561.435
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)3000
H-bond Acceptor11
H-bond Donor1
No. of Rotatable Bond Count9
XLogP4.86
PSA82.19
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 4 of 53   [TOP]
Compound IDNVIC0008
Compound Structure
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Inhibitor7-(4-Carbamoylpiperidin-1-yl)-1-cyclopropyl-N-(2,4
PubChem ID 44191023
Drug Bank ID
ChemSpider ID 24623404
SMILESC1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCC(CC4)C(=O)N)F)C(=O)NCC5=C(C=C(C=C5)Cl)Cl
Molecular Weight (in g/mol)531.409
TargetNiV F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Sourcehttps://pubchem.ncbi.nlm.nih.gov/bioassay/420714#section=Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)1500
H-bond Acceptor10
H-bond Donor2
No. of Rotatable Bond Count7
XLogP4.02
PSA95.74
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatoranshu@imtech.res.in

                  
Record - 5 of 53   [TOP]
Compound IDNVIC0009
Compound Structure
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InhibitorN-(Cyclopropylmethyl)-1-ethyl-6-fluoro-4-oxo-1,4-
PubChem ID 44190928
Drug Bank ID
ChemSpider ID 24618766
SMILESCCN1C=C(C(=O)C2=C1C=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)Cl
Molecular Weight (in g/mol)408.805
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor8
H-bond Donor1
No. of Rotatable Bond Count6
XLogP6.18
PSA49.41
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com

                  
Record - 6 of 53   [TOP]
Compound IDNVIC0010.1
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,5-dicarboxylic Acid
PubChem ID 91619677
Drug Bank ID
ChemSpider ID 62941102
SMILESC1=CC(=C2C(=C1)NC=C(C2=O)C(=O)O)C(=O)O
Molecular Weight (in g/mol)233.179
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com

                  
Record - 7 of 53   [TOP]
Compound IDNVIC0010.2
Compound Structure
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Inhibitor4-oxo-1,4-Dihydroquinoline-3,7-dicarboxylic Acid
PubChem ID 328523
Drug Bank ID
ChemSpider ID 290967
SMILESC1=CC2=C(C=C1C(=O)O)NC=C(C2=O)C(=O)O
Molecular Weight (in g/mol)233.179
TargetNiV-F protein
Assay TypeNiV F protein-based fusion assay
Assay DescriptionSize of the syncytia
Assay Source
Cell TypeVero cells
OutcomeInhibit NiV-induced virus-cell and cell-cell fusion
IC50 (in nM)
EC50 (in nM)8000
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count2
XLogP1.46
PSA103.70
Reference(s)https://pubs.acs.org/doi/full/10.1021/jm900411s
PubMed ID [Source Literature] 19499921
Curatorkanikatuteja@gmail.com

                  
Record - 8 of 53   [TOP]
Compound IDNVIC0013
Compound Structure
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InhibitorAB00991123
PubChem ID 17483530
Drug Bank ID
ChemSpider ID 17026724
SMILESC1CC(=CC2=CC=CC=C21)S(=O)(=O)NC3=CC=C(C=C3)N4C=NN=N4
Molecular Weight (in g/mol)353.398
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)3900
H-bond Acceptor4
H-bond Donor1
No. of Rotatable Bond Count4
XLogP4.37
PSA97.63
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com

                  
Record - 9 of 53   [TOP]
Compound IDNVIC0014
Compound Structure
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InhibitorAB00992391
PubChem ID 8189728
Drug Bank ID
ChemSpider ID 6491411
SMILESC1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)F)F)N3C=NN=N3
Molecular Weight (in g/mol)337.305
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)11700
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count4
XLogP2.78
PSA97.63
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com

                  
Record - 10 of 53   [TOP]
Compound IDNVIC0015
Compound Structure
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InhibitorAB00993210
PubChem ID 25672978
Drug Bank ID
ChemSpider ID 22443136
SMILESCN(C)S(=O)(=O)C1=CC2=C(C=C1)N(CC2)S(=O)(=O)C3=CC=CS3
Molecular Weight (in g/mol)372.483
TargetReplication
Assay TypeHigh throughput screening assay
Assay Description10-point concentration response assay
Assay SourceEnamine Ltd. (Kiev, Ukraine)
Cell TypeVero cells
OutcomeInhibition of virus-induced cytopathic effect
IC50 (in nM)
EC50 (in nM)7800
H-bond Acceptor7
H-bond Donor0
No. of Rotatable Bond Count4
XLogP1.71
PSA119.76
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3994909/
PubMed ID [Source Literature] 24735442
Curatorkanikatuteja@gmail.com

                  
Record - 11 of 53   [TOP]
Compound IDNVIC0019
Compound Structure
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InhibitorRibavirin
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight (in g/mol)244.207
TargetReplication
Assay TypeBSL4 HTS assay
Assay DescriptionHRP-chemiluminescent
Assay Source
Cell TypeVero cells
OutcomeVirus inhibition
IC50 (in nM)
EC50 (in nM)3356
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3
PSA143.72
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
PubMed ID [Source Literature] 18313148
Curatorkanikatuteja@gmail.com

                  
Record - 12 of 53   [TOP]
Compound IDNVIC0019
Compound Structure
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InhibitorRibavirin
PubChem ID 37542
Drug Bank IDDB00811
ChemSpider ID 34439
SMILESC1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N
Molecular Weight (in g/mol)244.207
TargetReplication
Assay TypeBSL2 HTS assay
Assay DescriptionFluorescent immunodetection
Assay Source
Cell TypeVero cells
OutcomeVirus inhibition
IC50 (in nM)
EC50 (in nM)6041
H-bond Acceptor7
H-bond Donor4
No. of Rotatable Bond Count3
XLogP-3
PSA143.72
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2653211/
PubMed ID [Source Literature] 18313148
Curatorpriyankapaul008@gmail.com

                  
Record - 13 of 53   [TOP]
Compound IDNVIC0024
Compound Structure
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InhibitorGliotoxin
PubChem ID 6223
Drug Bank ID
ChemSpider ID 5988
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
Molecular Weight (in g/mol)326.385
TargetCalcium modulation
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)740
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count1
XLogP-2.1
PSA131.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 14 of 53   [TOP]
Compound IDNVIC0024
Compound Structure
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InhibitorGliotoxin
PubChem ID 6223
Drug Bank ID
ChemSpider ID 5988
SMILESCN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O
Molecular Weight (in g/mol)326.385
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)149
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count1
XLogP-2.1
PSA131.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 15 of 53   [TOP]
Compound IDNVIC0025
Compound Structure
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InhibitorGentian Violet
PubChem ID 3468
Drug Bank IDDB00406
ChemSpider ID 3349
SMILESCN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C
Molecular Weight (in g/mol)372.5
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)525
EC50 (in nM)
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bond Count4
XLogP5.51
PSA9.49
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 16 of 53   [TOP]
Compound IDNVIC0026
Compound Structure
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InhibitorBrilliant Green
PubChem ID 12450
Drug Bank IDDB11279
ChemSpider ID 11942
SMILESCCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3
Molecular Weight (in g/mol)385.6
TargetCalcium modulation
Assay TypeDose-response assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of NiV infection.
IC50 (in nM)218
EC50 (in nM)
H-bond Acceptor1
H-bond Donor0
No. of Rotatable Bond Count7
XLogP8.33
PSA6.25
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2781006/
PubMed ID [Source Literature] 19889218
Curatorkanikatuteja@gmail.com

                  
Record - 17 of 53   [TOP]
Compound IDNVIC0029
Compound Structure
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InhibitorA23187
PubChem ID 11957499
Drug Bank ID
ChemSpider ID 10131749
SMILESCC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC
Molecular Weight (in g/mol)523.63
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)70
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count7
XLogP4.48
PSA126.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 18 of 53   [TOP]
Compound IDNVIC0049
Compound Structure
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Inhibitor2-APB(2-Aminoethyl Diphenylborinate)
PubChem ID 1598
Drug Bank ID
ChemSpider ID 1540
SMILESB(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN
Molecular Weight (in g/mol)225.098
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)133310
EC50 (in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count5
XLogP4.45
PSA35.25
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 19 of 53   [TOP]
Compound IDNVIC0050
Compound Structure
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InhibitorBHQ(2,5-di-(t-butyl)-1,4-hydroquinone)
PubChem ID 2374
Drug Bank ID
ChemSpider ID 2283
SMILESCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)C)O
Molecular Weight (in g/mol)222.328
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)12210
EC50 (in nM)
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bond Count2
XLogP4.46
PSA40.46
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 20 of 53   [TOP]
Compound IDNVIC0051
Compound Structure
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InhibitorCA1001[(-)-(r,r)-N,N?-bis[11-(ethoxycarbonyl)undec
PubChem ID 163688476
Drug Bank ID
ChemSpider ID 2343275
SMILESCCOC(=O)CCCCCCCCCCCN(C)C(=O)CO[C@H](C)[C@@H](C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
Molecular Weight (in g/mol)684.987
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)348990
EC50 (in nM)
H-bond Acceptor10
H-bond Donor0
No. of Rotatable Bond Count37
XLogP8.92
PSA111.68
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 21 of 53   [TOP]
Compound IDNVIC0052
Compound Structure
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InhibitorDantrolene
PubChem ID 6914273
Drug Bank ID
ChemSpider ID 5036403
SMILESC1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]
Molecular Weight (in g/mol)314.257
TargetInhibitor of ryanodine receptor mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)12410
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count4
XLogP2.89
PSA106.02
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 22 of 53   [TOP]
Compound IDNVIC0053
Compound Structure
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InhibitorIonomycin
PubChem ID 6912226
Drug Bank ID
ChemSpider ID 5288579
SMILESCC(CCC(=O)O)CC(C)CC(C)C(=O)C=C(C(C)CC(C)CC=CC(C)C(C(C)C(CC1CCC(O1)(C)C2CCC(O2)(C)C(C)O)O)O)O
Molecular Weight (in g/mol)709.018
TargetCalcium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)5190
EC50 (in nM)
H-bond Acceptor9
H-bond Donor5
No. of Rotatable Bond Count22
XLogP7.69
PSA153.75
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 23 of 53   [TOP]
Compound IDNVIC0054
Compound Structure
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InhibitorRyanodine
PubChem ID 11317883
Drug Bank ID
ChemSpider ID 16736002
SMILESCC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O
Molecular Weight (in g/mol)493.553
TargetStimulates calcium release from the ER via ryanodine receptors.
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)65710
EC50 (in nM)
H-bond Acceptor10
H-bond Donor7
No. of Rotatable Bond Count4
XLogP0.16
PSA168.94
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 24 of 53   [TOP]
Compound IDNVIC0055
Compound Structure
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InhibitorThapsigargin
PubChem ID 446378
Drug Bank ID
ChemSpider ID 23258517
SMILESCCCCCCCC(=O)OC1C2C(=C(C1OC(=O)C(=CC)C)C)C3C(C(CC2(C)OC(=O)C)OC(=O)CCC)(C(C(=O)O3)(C)O)O
Molecular Weight (in g/mol)650.762
TargetStimulates calcium release from the ER via IP3
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)50
EC50 (in nM)
H-bond Acceptor12
H-bond Donor2
No. of Rotatable Bond Count17
XLogP5.1
PSA171.96
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 25 of 53   [TOP]
Compound IDNVIC0056
Compound Structure
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InhibitorXestospongin C
PubChem ID 5311502
Drug Bank ID
ChemSpider ID 4470979
SMILESC1CCCC2CCN3CCCC(C3O2)CCCCCCC4CCN5CCCC(C5O4)CC1
Molecular Weight (in g/mol)446.72
TargetInhibitor of IP3 mediated calcium release from the ER
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceMerck Scientific (Kilsyth, VIC Australia)
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)7010
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count0
XLogP7.08
PSA24.94
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 26 of 53   [TOP]
Compound IDNVIC0057
Compound Structure
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InhibitorAmlodipine besylate
PubChem ID 60496
Drug Bank ID
ChemSpider ID 54537
SMILESCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O
Molecular Weight (in g/mol)567.05
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)643530
EC50 (in nM)
H-bond Acceptor8
H-bond Donor2
No. of Rotatable Bond Count10
XLogP3.24
PSA99.88
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0058
Compound Structure
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InhibitorGabapentin
PubChem ID 3446
Drug Bank ID
ChemSpider ID 3328
SMILESC1CCC(CC1)(CC(=O)O)CN
Molecular Weight (in g/mol)171.24
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)538700
EC50 (in nM)
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bond Count3
XLogP1.39
PSA63.32
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0059
Compound Structure
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InhibitorLanthanum Chloride
PubChem ID 64735
Drug Bank ID
ChemSpider ID 58275
SMILESCl[La](Cl)Cl
Molecular Weight (in g/mol)245.255
TargetCalcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)1030790
EC50 (in nM)
H-bond Acceptor
H-bond Donor
No. of Rotatable Bond Count0
XLogP
PSA0.00
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0060
Compound Structure
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InhibitorMibefradil
PubChem ID 60663
Drug Bank ID
ChemSpider ID 54673
SMILESCC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F
Molecular Weight (in g/mol)495.639
TargetT-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)6110
EC50 (in nM)
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count12
XLogP6.43
PSA67.45
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0061
Compound Structure
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InhibitorNifedipine
PubChem ID 4485
Drug Bank ID
ChemSpider ID 4330
SMILESCC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC
Molecular Weight (in g/mol)346.339
TargetL-type calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)245440
EC50 (in nM)
H-bond Acceptor6
H-bond Donor1
No. of Rotatable Bond Count6
XLogP3.91
PSA107.77
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0062
Compound Structure
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InhibitorPraziquantel
PubChem ID 4891
Drug Bank ID
ChemSpider ID 4722
SMILESC1CCC(CC1)C(=O)N2CC3C4=CC=CC=C4CCN3C(=O)C2
Molecular Weight (in g/mol)312.413
TargetL-type calcium channels antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)33510
EC50 (in nM)
H-bond Acceptor4
H-bond Donor0
No. of Rotatable Bond Count2
XLogP3.65
PSA40.62
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0063
Compound Structure
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InhibitorTetrandine
PubChem ID 73078
Drug Bank ID
ChemSpider ID 65868
SMILESCN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC
Molecular Weight (in g/mol)622.762
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)654800
EC50 (in nM)
H-bond Acceptor8
H-bond Donor0
No. of Rotatable Bond Count4
XLogP6.09
PSA61.86
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0064
Compound Structure
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InhibitorVerapamil
PubChem ID 2520
Drug Bank ID
ChemSpider ID 2425
SMILESCC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC
Molecular Weight (in g/mol)454.611
TargetL/T-type Calcium channel antagonist
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeCalcium channel blockage
IC50 (in nM)21660
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count13
XLogP4.71
PSA63.95
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0065
Compound Structure
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Inhibitor5-N-ethyl isopropyl amiloride
PubChem ID 1795
Drug Bank ID
ChemSpider ID 1729
SMILESCCN(C1=NC(=C(N=C1Cl)C(=O)N=C(N)N)N)C(C)C
Molecular Weight (in g/mol)299.763
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)5960
EC50 (in nM)
H-bond Acceptor6
H-bond Donor3
No. of Rotatable Bond Count5
XLogP0.76
PSA136.51
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0066
Compound Structure
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InhibitorAmiloride
PubChem ID 16231
Drug Bank ID
ChemSpider ID 15403
SMILESC1(=C(N=C(C(=N1)Cl)N)N)C(=O)N=C(N)N
Molecular Weight (in g/mol)229.628
TargetInhibitor of sodium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)656470
EC50 (in nM)
H-bond Acceptor6
H-bond Donor4
No. of Rotatable Bond Count2
XLogP-1.1
PSA159.29
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0067
Compound Structure
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InhibitorBenzamil
PubChem ID 108107
Drug Bank ID
ChemSpider ID 97202
SMILESC1=CC=C(C=C1)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N
Molecular Weight (in g/mol)319.753
TargetInhibitor of sodium/hydrogen transporter
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)65040
EC50 (in nM)
H-bond Acceptor7
H-bond Donor5
No. of Rotatable Bond Count6
XLogP2.35
PSA142.80
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0068
Compound Structure
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InhibitorMonensin
PubChem ID 441145
Drug Bank ID
ChemSpider ID 389937
SMILESCCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CO)O)C)C)C
Molecular Weight (in g/mol)670.881
TargetSodium ionophore
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)12240
EC50 (in nM)
H-bond Acceptor11
H-bond Donor4
No. of Rotatable Bond Count10
XLogP3.36
PSA153.37
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0069
Compound Structure
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InhibitorPhenytoin
PubChem ID 1775
Drug Bank ID
ChemSpider ID 1710
SMILESC1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=CC=C3
Molecular Weight (in g/mol)252.273
TargetNon-selective inhibitor of sodium, sodium/hydrogen transporter and calcium channels
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeSodium channel blockage
IC50 (in nM)51580
EC50 (in nM)
H-bond Acceptor4
H-bond Donor2
No. of Rotatable Bond Count2
XLogP4.71
PSA58.20
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0070
Compound Structure
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Inhibitor7-octyl-indolactam
PubChem ID 45934410
Drug Bank ID
ChemSpider ID 57263232
SMILESCCCCCCCCC1=C2CC(NC(=O)C(N(C3=CC=CC(=C23)N1)C)C(C)C)CO
Molecular Weight (in g/mol)413.606
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)306820
EC50 (in nM)
H-bond Acceptor5
H-bond Donor3
No. of Rotatable Bond Count9
XLogP5.62
PSA68.36
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0071
Compound Structure
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InhibitorCyclosporine
PubChem ID 5280754
Drug Bank ID
ChemSpider ID 4447449
SMILESCCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Molecular Weight (in g/mol)1202.63
TargetActivates of SERCA
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeRemoval of cytosolic calcium
IC50 (in nM)12640
EC50 (in nM)
H-bond Acceptor23
H-bond Donor5
No. of Rotatable Bond Count15
XLogP8.4
PSA278.80
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0072
Compound Structure
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InhibitorOleic Acid
PubChem ID 445639
Drug Bank ID
ChemSpider ID 393217
SMILESCCCCCCCCC=CCCCCCCCC(=O)O
Molecular Weight (in g/mol)282.468
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)1848200
EC50 (in nM)
H-bond Acceptor2
H-bond Donor1
No. of Rotatable Bond Count15
XLogP8.19
PSA37.30
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0073
Compound Structure
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InhibitorPhenoxybenzamine
PubChem ID 4768
Drug Bank ID
ChemSpider ID 4604
SMILESCC(COC1=CC=CC=C1)N(CCCl)CC2=CC=CC=C2
Molecular Weight (in g/mol)303.83
TargetCalmoudulin inhibitor
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)6860
EC50 (in nM)
H-bond Acceptor3
H-bond Donor0
No. of Rotatable Bond Count8
XLogP6.54
PSA12.47
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0074
Compound Structure
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InhibitorPMA(Phorbol 12-myristate 13-acetate)
PubChem ID 27924
Drug Bank ID
ChemSpider ID 25977
SMILESCCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C
Molecular Weight (in g/mol)616.825
TargetActivates PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)372120
EC50 (in nM)
H-bond Acceptor8
H-bond Donor3
No. of Rotatable Bond Count17
XLogP6.51
PSA130.36
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0075
Compound Structure
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InhibitorRottlerin
PubChem ID 5281847
Drug Bank ID
ChemSpider ID 4445144
SMILESCC1=C(C(=C(C(=C1O)C(=O)C)O)CC2=C(C3=C(C(=C2O)C(=O)C=CC4=CC=CC=C4)OC(C=C3)(C)C)O)O
Molecular Weight (in g/mol)516.546
TargetInhibits PKC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)19820
EC50 (in nM)
H-bond Acceptor8
H-bond Donor5
No. of Rotatable Bond Count6
XLogP5.12
PSA144.52
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0076
Compound Structure
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InhibitorU73122
PubChem ID 104794
Drug Bank ID
ChemSpider ID 94596
SMILESCC12CCC3C(C1CCC2NCCCCCCN4C(=O)C=CC4=O)CCC5=C3C=CC(=C5)OC
Molecular Weight (in g/mol)464.65
TargetInhibits PLC mediated pathways
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
OutcomeInhibition of viral replication
IC50 (in nM)36320
EC50 (in nM)
H-bond Acceptor5
H-bond Donor1
No. of Rotatable Bond Count9
XLogP6.17
PSA58.64
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0077
Compound Structure
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Inhibitor25-hydroxy-cholecalciferol
PubChem ID 5283731
Drug Bank ID
ChemSpider ID 4446820
SMILESCC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight (in g/mol)400.647
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceSigma Chemical Company (St. Louis, MO, USA).
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)30860
EC50 (in nM)
H-bond Acceptor2
H-bond Donor2
No. of Rotatable Bond Count6
XLogP7.93
PSA40.46
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0078
Compound Structure
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Inhibitor4-OH-tamoxifen
PubChem ID 449459
Drug Bank ID
ChemSpider ID 4447687
SMILESCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
Molecular Weight (in g/mol)387.523
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)7510
EC50 (in nM)
H-bond Acceptor3
H-bond Donor1
No. of Rotatable Bond Count8
XLogP8.73
PSA32.70
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0079
Compound Structure
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InhibitorArg-vasopressin
PubChem ID 644077
Drug Bank ID
ChemSpider ID 559126
SMILESC1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
Molecular Weight (in g/mol)1084.23
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)35270
EC50 (in nM)
H-bond Acceptor28
H-bond Donor14
No. of Rotatable Bond Count22
XLogP-0.4
PSA514.53
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0080
Compound Structure
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InhibitorBradykinin
PubChem ID 439201
Drug Bank ID
ChemSpider ID 388341
SMILESC1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O
Molecular Weight (in g/mol)1060.22
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)34070
EC50 (in nM)
H-bond Acceptor26
H-bond Donor14
No. of Rotatable Bond Count37
XLogP0.1
PSA413.78
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0081
Compound Structure
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InhibitorCaffeine
PubChem ID 2519
Drug Bank ID
ChemSpider ID 2424
SMILESCN1C=NC2=C1C(=O)N(C(=O)N2C)C
Molecular Weight (in g/mol)194.194
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)7562710
EC50 (in nM)
H-bond Acceptor5
H-bond Donor0
No. of Rotatable Bond Count0
XLogP-0.6
PSA58.44
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0082
Compound Structure
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InhibitorCholecalciferol
PubChem ID 5280795
Drug Bank ID
ChemSpider ID 4444353
SMILESCC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Molecular Weight (in g/mol)384.648
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)55630
EC50 (in nM)
H-bond Acceptor1
H-bond Donor1
No. of Rotatable Bond Count6
XLogP9.89
PSA20.23
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
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Compound IDNVIC0083
Compound Structure
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InhibitorClotrimazole
PubChem ID 2812
Drug Bank ID
ChemSpider ID 2710
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
Molecular Weight (in g/mol)344.842
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay SourceStreptomyces conglobatus
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)3470
EC50 (in nM)
H-bond Acceptor2
H-bond Donor0
No. of Rotatable Bond Count4
XLogP8.55
PSA17.82
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com

                  
Record - 53 of 53   [TOP]
Compound IDNVIC0084
Compound Structure
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InhibitorPropranolol
PubChem ID 4946
Drug Bank ID
ChemSpider ID 4777
SMILESCC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
Molecular Weight (in g/mol)259.349
TargetRelease ER calcium stores
Assay TypeHTS immunolabeling assay
Assay DescriptionNon-linear regression analysis
Assay Source
Cell TypeVero cells
OutcomeInhibition of henipavirus replication
IC50 (in nM)3830
EC50 (in nM)
H-bond Acceptor3
H-bond Donor2
No. of Rotatable Bond Count6
XLogP4.05
PSA41.49
Reference(s)https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2910441/
PubMed ID [Source Literature] 20668647
Curatorkanikatuteja@gmail.com