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Compile Data Set for Download or QSAR

Found 1 hit of ki for monomerid = 50037467   
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)		BDBM50037467
PNG
(CHEMBL3125047)
Show SMILES COc1cc(Oc2ccc(cc2C=C)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)Nc2ccccc2C(=O)NS(=O)(=O)CCCC=C)nc(n1)-c1ccccc1 |r|
Show InChI InChI=1S/C44H52N6O9S/c1-10-12-18-25-60(55,56)50-39(51)31-21-16-17-22-32(31)45-40(52)36(48-41(53)37(43(3,4)5)49-42(54)59-44(6,7)8)30-23-24-33(28(11-2)26-30)58-35-27-34(57-9)46-38(47-35)29-19-14-13-15-20-29/h10-11,13-17,19-24,26-27,36-37H,1-2,12,18,25H2,3-9H3,(H,45,52)(H,48,53)(H,49,54)(H,50,51)/t36-,37-/m1/s1
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Similars
Article
PubMed
 33n/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