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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 = 'BDBM50037498'   
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)
BDBM50037498
PNG
(CHEMBL3356703)
Show SMILES CC(C)(C)OC(=O)N[C@H](C(=O)Nc1ccccc1C(=O)NS(=O)(=O)CCCC=C)c1ccc(Oc2cc(C=C)nc(n2)-c2ccccc2)cc1 |r|
Show InChI InChI=1/C37H39N5O7S/c1-6-8-14-23-50(46,47)42-34(43)29-17-12-13-18-30(29)39-35(44)32(41-36(45)49-37(3,4)5)25-19-21-28(22-20-25)48-31-24-27(7-2)38-33(40-31)26-15-10-9-11-16-26/h6-7,9-13,15-22,24,32H,1-2,8,14,23H2,3-5H3,(H,39,44)(H,41,45)(H,42,43)/t32-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
220n/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