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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 = 'BDBM50037496'   
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)
BDBM50037496
PNG
(CHEMBL3356705)
Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCC=C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1/C37H39N5O8S/c1-7-9-21-51(46,47)42-34(43)27-17-13-14-18-28(27)38-35(44)32(41-36(45)50-37(3,4)5)26-19-20-29(24(8-2)22-26)49-31-23-30(48-6)39-33(40-31)25-15-11-10-12-16-25/h7-8,10-20,22-23,32H,1-2,9,21H2,3-6H3,(H,38,44)(H,41,45)(H,42,43)/t32-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
370n/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