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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 = 'BDBM50287587'   
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)		BDBM50287587
PNG
(CHEMBL4159744)
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)NC2(CC2)C(=O)NS(=O)(=O)C2CC2)c2cc(Cl)ccc12 |r|
Show InChI InChI=1S/C33H44ClN5O9S/c1-31(2,3)25(36-30(43)48-32(4,5)6)28(41)39-17-19(47-27-22-14-18(34)8-11-21(22)24(46-7)16-35-27)15-23(39)26(40)37-33(12-13-33)29(42)38-49(44,45)20-9-10-20/h8,11,14,16,19-20,23,25H,9-10,12-13,15,17H2,1-7H3,(H,36,43)(H,37,40)(H,38,42)/t19-,23+,25-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 40n/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