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Record - 1 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 2 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 3 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 4 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 5 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 6 of 8   [TOP]
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
Curatorkanikatuteja@gmail.com

                  
Record - 7 of 8   [TOP]
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 - 8 of 8   [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