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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50037445   
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
Genome polyprotein


(Hepatitis C virus)		BDBM50037445
PNG
(CHEMBL3356717)
Show SMILES COc1cc(Oc2ccc(cc2)C2NC(=O)[C@@H](CCCCCCCCCS(=O)(=O)NC(=O)c3ccccc3NC2=O)NC(=O)OC(C)(C)C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C42H50N6O9S/c1-42(2,3)57-41(52)44-33-21-13-8-6-5-7-9-16-26-58(53,54)48-38(49)31-19-14-15-20-32(31)43-40(51)36(47-39(33)50)28-22-24-30(25-23-28)56-35-27-34(55-4)45-37(46-35)29-17-11-10-12-18-29/h10-12,14-15,17-20,22-25,27,33,36H,5-9,13,16,21,26H2,1-4H3,(H,43,51)(H,44,52)(H,47,50)(H,48,49)/t33-,36?/m1/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 130n/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