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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 = 'BDBM50287588'   
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)		BDBM50287588
PNG
(CHEMBL4177477)
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@@]2(C[C@H]2CC(F)F)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C35H46ClF2N5O9S/c1-33(2,3)27(40-32(47)52-34(4,5)6)30(45)43-17-20(51-29-23-13-19(36)8-11-22(23)25(50-7)16-39-29)14-24(43)28(44)41-35(15-18(35)12-26(37)38)31(46)42-53(48,49)21-9-10-21/h8,11,13,16,18,20-21,24,26-27H,9-10,12,14-15,17H2,1-7H3,(H,40,47)(H,41,44)(H,42,46)/t18-,20-,24+,27-,35-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 14n/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