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BDBM50169911 3-Cyclohexyl-1-[2-(2-diethylaminomethyl-morpholin-4-yl)-2-oxo-ethyl]-2-(4-methoxy-phenyl)-1H-indole-6-carboxylic acid::CHEMBL365951

SMILES: CCN(CC)CC1CN(CCO1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OC)cc1

InChI Key: InChIKey=GQICWVPXBLZMOB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169911   
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)		BDBM50169911
PNG
(3-Cyclohexyl-1-[2-(2-diethylaminomethyl-morpholin-...)
Show SMILES CCN(CC)CC1CN(CCO1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccc(OC)cc1
Show InChI InChI=1S/C33H43N3O5/c1-4-34(5-2)20-27-21-35(17-18-41-27)30(37)22-36-29-19-25(33(38)39)13-16-28(29)31(23-9-7-6-8-10-23)32(36)24-11-14-26(40-3)15-12-24/h11-16,19,23,27H,4-10,17-18,20-22H2,1-3H3,(H,38,39)
UniProtKB/TrEMBL

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PC sid
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Article
PubMed
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