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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50124066'   
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)		BDBM50124066
PNG
((S)-8-Methyl-8-[(R)-3-(2-methylsulfanyl-phenyl)-ur...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Nc2ccccc2SC)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C
Show InChI InChI=1S/C38H46BF3N6O5S/c1-7-29(39-52-30-24-16-23(35(24,2)3)17-37(30,5)53-39)46-31(49)27-18-36(4,47-34(51)45-25-13-8-9-14-28(25)54-6)33-44-20-26(32(50)48(27)33)43-19-21-11-10-12-22(15-21)38(40,41)42/h8-15,20,23-24,27,29-30,43H,7,16-19H2,1-6H3,(H,46,49)(H2,45,47,51)/t23?,24?,27-,29-,30?,36+,37-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 710n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity hepatitis C virus NS3 protease.

Bioorg Med Chem Lett 13: 785-8 (2003)


BindingDB Entry DOI: 10.7270/Q2JW8D84
More data for this
Ligand-Target Pair