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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nonstructural protein NS3-4A' and Ligand = 'BDBM50037491'   
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
Nonstructural protein NS3-4A


(Hepatitis C virus)
BDBM50037491
PNG
(CHEMBL3356708)
Show SMILES COc1cc(Oc2ccc(cc2)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1/C42H50N6O9S/c1-9-10-16-25-58(53,54)48-37(49)30-19-14-15-20-31(30)43-38(50)34(46-39(51)35(41(2,3)4)47-40(52)57-42(5,6)7)27-21-23-29(24-22-27)56-33-26-32(55-8)44-36(45-33)28-17-12-11-13-18-28/h9,11-15,17-24,26,34-35H,1,10,16,25H2,2-8H3,(H,43,50)(H,46,51)(H,47,52)(H,48,49)/t34-,35+/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
95n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay


Bioorg Med Chem 22: 6595-615 (2015)


Article DOI: 10.1016/j.bmc.2014.10.010
BindingDB Entry DOI: 10.7270/Q2GX4D50
More data for this
Ligand-Target Pair