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Record - 1 of 3   [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 - 2 of 3   [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 - 3 of 3   [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