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BDBM50536253 CHEMBL4572483

SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N(C)CCN(C)C)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key: InChIKey=QZEKSYWTWATEGT-WGSAOQKQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536253   
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
Nonstructural protein 5A


(Hepatitis C virus)		BDBM50536253
PNG
(CHEMBL4572483)
Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N(C)CCN(C)C)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(17.15,-31.25,;16.29,-32.53,;16.96,-33.92,;16.11,-35.19,;14.57,-35.08,;13.89,-33.71,;14.75,-32.43,;13.71,-36.36,;14.39,-37.74,;12.17,-36.25,;11.49,-34.87,;9.96,-34.77,;9.1,-36.05,;9.28,-33.39,;10.13,-32.11,;7.74,-33.29,;7.06,-31.91,;5.52,-31.81,;4.84,-30.43,;4.67,-33.09,;11.32,-37.54,;9.78,-37.6,;9.36,-39.08,;10.64,-39.93,;11.85,-38.99,;13.18,-39.75,;13.17,-41.29,;14.51,-38.98,;7.91,-39.61,;6.46,-40.14,;5.01,-40.67,;3.83,-39.68,;4.75,-42.18,;3.35,-41.28,)|
Show InChI InChI=1S/C26H39N3O4S/c1-18-8-10-19(11-9-18)24(31)29(17-22(30)28(7)15-14-27(5)6)21-16-20(12-13-26(2,3)4)34-23(21)25(32)33/h16,18-19H,8-11,14-15,17H2,1-7H3,(H,32,33)/t18-,19-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9n/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Allosteric inhibition of HCV genotype 1b NS5A infected in human l389lucubi- neo/NS3-375.1-containing Huh7ET cells assessed as RNA replication/transla...

J Med Chem 59: 6293-302 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00541
More data for this
Ligand-Target Pair