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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein/Non-structural protein 4A' and Ligand = 'BDBM50287641'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Genome polyprotein/Non-structural protein 4A


(Hepatitis C virus)		BDBM50287641
PNG
(CHEMBL4168077)
Show SMILES COc1cnc(O[C@@H]2C[C@H](N(C2)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@H](CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C33H44ClF2N5O9S/c1-32(2,3)26(39-31(45)50-33(4,5)6)30(44)41-16-18(49-29-21-12-17(34)8-11-20(21)24(48-7)15-37-29)13-23(41)28(43)38-22(14-25(35)36)27(42)40-51(46,47)19-9-10-19/h8,11-12,15,18-19,22-23,25-26H,9-10,13-14,16H2,1-7H3,(H,38,43)(H,39,45)(H,40,42)/t18-,22-,23+,26-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.48E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of recombinant full length HCV genotype 1a NS3/4A protease (1027 to 1711 residues) expressed in Escherichia coli strain BL21 (DE3) using R...

ACS Med Chem Lett 9: 143-148 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00503
BindingDB Entry DOI: 10.7270/Q2668GR7
More data for this
Ligand-Target Pair