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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50125483'   
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)		BDBM50125483
PNG
((6S,8R)-1-Chloro-4-oxo-8-(3-phenyl-propyl)-3-(3-tr...)
Show SMILES CC1(C)C2CC1[C@@]1(C)OB(OC1C2)[C@H](CC=C)NC(=O)[C@@H]1C[C@@H](CCCc2ccccc2)c2c(Cl)nc(NCc3cccc(c3)C(F)(F)F)c(=O)n12
Show InChI InChI=1S/C39H45BClF3N4O4/c1-5-11-31(40-51-30-21-27-20-29(37(27,2)3)38(30,4)52-40)46-35(49)28-19-25(16-9-14-23-12-7-6-8-13-23)32-33(41)47-34(36(50)48(28)32)45-22-24-15-10-17-26(18-24)39(42,43)44/h5-8,10,12-13,15,17-18,25,27-31H,1,9,11,14,16,19-22H2,2-4H3,(H,45,47)(H,46,49)/t25-,27?,28+,29?,30?,31+,38-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

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Similars
PubMed
n/an/a 60n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibitory concentration against HCV NS3 protease.

Bioorg Med Chem Lett 13: 1157-60 (2003)


BindingDB Entry DOI: 10.7270/Q20R9NSS
More data for this
Ligand-Target Pair