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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 = 'BDBM50135434'   
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)		BDBM50135434
PNG
(CHEMBL339075 | Pyrazine-2-carboxylic acid ((R)-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)Oc1cccc2ccccc12)C=O
Show InChI InChI=1S/C34H42N6O6/c1-6-23(19-41)37-32(43)27-16-24(46-28-13-9-11-22-10-7-8-12-25(22)28)18-40(27)34(45)30(21(4)5)39-33(44)29(20(2)3)38-31(42)26-17-35-14-15-36-26/h7-15,17,19-21,23-24,27,29-30H,6,16,18H2,1-5H3,(H,37,43)(H,38,42)(H,39,44)/t23-,24+,27-,29+,30+/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 2.10E+3n/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