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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50124044   
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)		BDBM50124044
PNG
((S)-8-Methyl-8-[(3-methylsulfanyl-phenylcarbamoyl)...)
Show SMILES CC[C@H](NC(=O)[C@@H]1C[C@@](C)(CC(=O)Nc2cccc(SC)c2)c2ncc(NCc3cccc(c3)C(F)(F)F)c(=O)n12)B1OC2C3CC(C[C@]2(C)O1)C3(C)C
Show InChI InChI=1S/C39H47BF3N5O5S/c1-7-30(40-52-32-27-15-24(36(27,2)3)17-38(32,5)53-40)47-33(50)29-18-37(4,19-31(49)46-25-12-9-13-26(16-25)54-6)35-45-21-28(34(51)48(29)35)44-20-22-10-8-11-23(14-22)39(41,42)43/h8-14,16,21,24,27,29-30,32,44H,7,15,17-20H2,1-6H3,(H,46,49)(H,47,50)/t24?,27?,29-,30-,32?,37-,38-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 90n/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