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BDBM50536244 CHEMBL4522557

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

InChI Key: InChIKey=OZCIEWIMPNZLQL-BJLQDIEVSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50536244   
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)		BDBM50536244
PNG
(CHEMBL4522557)
Show SMILES CCC[C@H](N(C(=O)[C@H]1CC[C@H](C)CC1)c1cc(sc1C(O)=O)C#CC(C)(C)C)C(=O)N(C)C |r,wU:10.10,wD:7.6,3.2,(32.1,-14.36,;31.25,-15.65,;31.93,-17.03,;31.07,-18.31,;31.75,-19.69,;33.29,-19.79,;33.97,-21.17,;34.14,-18.51,;35.68,-18.62,;36.54,-17.35,;35.86,-15.96,;36.73,-14.69,;34.33,-15.86,;33.46,-17.14,;30.89,-20.97,;29.36,-21.03,;28.93,-22.51,;30.21,-23.37,;31.43,-22.42,;32.75,-23.19,;32.75,-24.73,;34.09,-22.42,;27.49,-23.04,;26.03,-23.57,;24.59,-24.1,;23.41,-23.11,;24.32,-25.62,;22.93,-24.71,;29.53,-18.21,;28.68,-19.49,;28.85,-16.82,;29.71,-15.54,;27.32,-16.72,)|
Show InChI InChI=1S/C26H38N2O4S/c1-8-9-20(24(30)27(6)7)28(23(29)18-12-10-17(2)11-13-18)21-16-19(14-15-26(3,4)5)33-22(21)25(31)32/h16-18,20H,8-13H2,1-7H3,(H,31,32)/t17-,18-,20-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 14n/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