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BDBM50536249 CHEMBL4550700

SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCN(C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key: InChIKey=BFEWIXKVLPSABN-WGSAOQKQSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536249   
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)		BDBM50536249
PNG
(CHEMBL4550700)
Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCN(C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(58.24,-17.81,;57.38,-19.09,;58.05,-20.47,;57.19,-21.75,;55.65,-21.63,;54.97,-20.26,;55.84,-18.98,;54.8,-22.91,;55.48,-24.3,;53.26,-22.81,;52.58,-21.43,;51.04,-21.33,;50.19,-22.61,;50.36,-19.95,;51.23,-18.67,;50.55,-17.3,;49.02,-17.19,;48.34,-15.8,;48.16,-18.47,;48.83,-19.86,;52.41,-24.09,;50.87,-24.16,;50.45,-25.64,;51.72,-26.49,;52.94,-25.54,;54.26,-26.31,;54.26,-27.85,;55.6,-25.54,;49,-26.16,;47.55,-26.7,;46.1,-27.22,;44.92,-26.24,;45.84,-28.74,;44.44,-27.84,)|
Show InChI InChI=1S/C26H37N3O4S/c1-18-6-8-19(9-7-18)24(31)29(17-22(30)28-14-12-27(5)13-15-28)21-16-20(10-11-26(2,3)4)34-23(21)25(32)33/h16,18-19H,6-9,12-15,17H2,1-5H3,(H,32,33)/t18-,19-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 6n/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