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BDBM50037495 CHEMBL3125171

SMILES: COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1

InChI Key: InChIKey=NYVHQORNXOFOPS-YGFIFORBNA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nonstructural protein NS3-4A


(Hepatitis C virus)
BDBM50037495
PNG
(CHEMBL3125171)
Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1/C38H41N5O8S/c1-7-9-15-22-52(47,48)43-35(44)28-18-13-14-19-29(28)39-36(45)33(42-37(46)51-38(3,4)5)27-20-21-30(25(8-2)23-27)50-32-24-31(49-6)40-34(41-32)26-16-11-10-12-17-26/h7-8,10-14,16-21,23-24,33H,1-2,9,15,22H2,3-6H3,(H,39,45)(H,42,46)(H,43,44)/t33-/s2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
190n/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