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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 = 'BDBM50461565'   
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)		BDBM50461565
PNG
(CHEMBL4228402)
Show SMILES COC(=O)[C@H](C(C)C)N(C)C(=O)N[C@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C1CC1)Oc1nccc2cc(OC)ccc12)C(C)(C)C |r|
Show InChI InChI=1S/C38H52N6O10S/c1-10-23-19-38(23,35(48)42-55(50,51)26-12-13-26)41-31(45)28-18-25(54-32-27-14-11-24(52-8)17-22(27)15-16-39-32)20-44(28)33(46)30(37(4,5)6)40-36(49)43(7)29(21(2)3)34(47)53-9/h10-11,14-17,21,23,25-26,28-30H,1,12-13,18-20H2,2-9H3,(H,40,49)(H,41,45)(H,42,48)/t23-,25-,28+,29+,30-,38-/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of N-terminal poly-His tagged recombinant HCV genotype 1a NS3/4A protease expressed in Escherichia coli BL21(DE3) pLysS using HCV-FRET pep...

Bioorg Med Chem Lett 28: 1853-1859 (2018)


Article DOI: 10.1016/j.bmcl.2018.04.009
BindingDB Entry DOI: 10.7270/Q2NP272Z
More data for this
Ligand-Target Pair