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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Genome polyprotein' and Ligand = 'BDBM50124061'   
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)		BDBM50124061
PNG
(CHEMBL164441 | {(S)-8-Methyl-4-oxo-3-(3-trifluorom...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(NC(=O)Oc2ccccc2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C
Show InChI InChI=1S/C37H43BF3N5O6/c1-6-28(38-51-29-25-16-23(34(25,2)3)17-36(29,5)52-38)44-30(47)27-18-35(4,45-33(49)50-24-13-8-7-9-14-24)32-43-20-26(31(48)46(27)32)42-19-21-11-10-12-22(15-21)37(39,40)41/h7-15,20,23,25,27-29,42H,6,16-19H2,1-5H3,(H,44,47)(H,45,49)/t23?,25?,27-,28-,29?,35+,36-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 1.40E+3n/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