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Record - 1 of 2   [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
Curatorkanikatuteja@gmail.com

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