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BDBM50536240 CHEMBL4543917

SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCC(O)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C

InChI Key: InChIKey=UQIHAZNBJRYLAG-IYARVYRRSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536240   
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)		BDBM50536240
PNG
(CHEMBL4543917)
Show SMILES C[C@H]1CC[C@@H](CC1)C(=O)N(CC(=O)N1CCC(O)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C |r,wU:1.0,wD:4.7,(38.52,-30.19,;37.66,-31.47,;38.33,-32.86,;37.48,-34.13,;35.94,-34.02,;35.26,-32.65,;36.12,-31.37,;35.08,-35.3,;35.76,-36.68,;33.55,-35.2,;32.87,-33.81,;31.33,-33.71,;30.47,-34.99,;30.65,-32.33,;31.51,-31.06,;30.84,-29.68,;29.3,-29.57,;28.63,-28.19,;28.44,-30.85,;29.12,-32.24,;32.69,-36.48,;31.15,-36.54,;30.73,-38.02,;32.01,-38.88,;33.22,-37.93,;34.55,-38.69,;34.55,-40.23,;35.88,-37.92,;29.28,-38.55,;27.83,-39.08,;26.38,-39.61,;25.2,-38.62,;26.12,-41.12,;24.73,-40.22,)|
Show InChI InChI=1S/C26H36N2O5S/c1-17-5-7-18(8-6-17)24(31)28(16-22(30)27-13-10-19(29)11-14-27)21-15-20(9-12-26(2,3)4)34-23(21)25(32)33/h15,17-19,29H,5-8,10-11,13-14,16H2,1-4H3,(H,32,33)/t17-,18-
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 64n/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