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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 = 'BDBM50135444'   
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)		BDBM50135444
PNG
(CHEMBL338447 | N-((S)-1-((S)-1-((2S,4R)-2-(((S)-1-...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C(C)C)C(C)C)OCc1ccccc1)C=O
Show InChI InChI=1S/C31H42N6O6/c1-6-22(17-38)34-29(40)25-14-23(43-18-21-10-8-7-9-11-21)16-37(25)31(42)27(20(4)5)36-30(41)26(19(2)3)35-28(39)24-15-32-12-13-33-24/h7-13,15,17,19-20,22-23,25-27H,6,14,16,18H2,1-5H3,(H,34,40)(H,35,39)(H,36,41)/t22-,23+,25-,26-,27-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 1.20E+4n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of HCV (Hepatitis C Virus) NS3-4A protease.

Bioorg Med Chem Lett 13: 4059-63 (2003)


BindingDB Entry DOI: 10.7270/Q2028QX4
More data for this
Ligand-Target Pair