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BDBM50169904 2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-diethylamino-piperidin-1-yl)-2-oxo-ethyl]-1H-indole-6-carboxylic acid::2-(4-chlorophenyl)-3-cyclohexyl-1-(2-(4-(diethylamino)piperidin-1-yl)-2-oxoethyl)-1H-indole-6-carboxylic acid::CHEMBL362909

SMILES: CCN(CC)C1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=AFDCDDUWKSMTFV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169904   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hepatitis C virus NS5B RNA-dependent RNA polymerase


(Hepatitis C virus)		BDBM50169904
PNG
(2-(4-Chloro-phenyl)-3-cyclohexyl-1-[2-(4-diethylam...)
Show SMILES CCN(CC)C1CCN(CC1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C32H40ClN3O3/c1-3-34(4-2)26-16-18-35(19-17-26)29(37)21-36-28-20-24(32(38)39)12-15-27(28)30(22-8-6-5-7-9-22)31(36)23-10-13-25(33)14-11-23/h10-15,20,22,26H,3-9,16-19,21H2,1-2H3,(H,38,39)
UniProtKB/TrEMBL

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n/an/a 9n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against hepatitis C virus NS5B polymerase enzyme; Range=6-9 nM

J Med Chem 48: 4547-57 (2005)


Article DOI: 10.1021/jm050056+
BindingDB Entry DOI: 10.7270/Q24B30VN
More data for this
Ligand-Target Pair