new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nonstructural protein NS3-4A' and Ligand = 'BDBM50037493'   
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)
BDBM50037493
PNG
(CHEMBL3356707)
Show SMILES COc1cc(Oc2ccc(cc2)[C@H](NC(=O)[C@H](CCCCCC=C)NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1/C45H54N6O9S/c1-7-9-11-12-16-24-36(47-44(55)60-45(3,4)5)42(53)50-39(43(54)46-35-23-18-17-22-34(35)41(52)51-61(56,57)29-19-10-8-2)31-25-27-33(28-26-31)59-38-30-37(58-6)48-40(49-38)32-20-14-13-15-21-32/h7-8,13-15,17-18,20-23,25-28,30,36,39H,1-2,9-12,16,19,24,29H2,3-6H3,(H,46,54)(H,47,55)(H,50,53)(H,51,52)/t36-,39-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
230n/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