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BDBM50169916 3-Cyclohexyl-1-{[methyl-(1-methyl-piperidin-3-ylmethyl)-carbamoyl]-methyl}-2-phenyl-1H-indole-6-carboxylic acid::CHEMBL189054

SMILES: CN(CC1CCCN(C)C1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccc1

InChI Key: InChIKey=AWVLDLUQVKNAMT-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50169916   
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)		BDBM50169916
PNG
(3-Cyclohexyl-1-{[methyl-(1-methyl-piperidin-3-ylme...)
Show SMILES CN(CC1CCCN(C)C1)C(=O)Cn1c(c(C2CCCCC2)c2ccc(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C31H39N3O3/c1-32-17-9-10-22(19-32)20-33(2)28(35)21-34-27-18-25(31(36)37)15-16-26(27)29(23-11-5-3-6-12-23)30(34)24-13-7-4-8-14-24/h4,7-8,13-16,18,22-23H,3,5-6,9-12,17,19-21H2,1-2H3,(H,36,37)
UniProtKB/TrEMBL

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



IRBM (Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against by hepatitis C virus NS5B polymerase

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