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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50152991'   
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
Cathepsin S


(Homo sapiens (Human))		BDBM50152991
PNG
(1-(3-(4-Chloro-phenyl)-1-{2-hydroxy-3-[4-(2-methox...)
Show SMILES COc1ccccc1N1CCN(CC(O)Cn2nc(c3CN(CCc23)C(C)=O)-c2ccc(Cl)cc2)CC1
Show InChI InChI=1S/C28H34ClN5O3/c1-20(35)33-12-11-25-24(19-33)28(21-7-9-22(29)10-8-21)30-34(25)18-23(36)17-31-13-15-32(16-14-31)26-5-3-4-6-27(26)37-2/h3-10,23,36H,11-19H2,1-2H3
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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human cysteine protease cathepsin S

J Med Chem 47: 4799-801 (2004)


Article DOI: 10.1021/jm0496133
BindingDB Entry DOI: 10.7270/Q28P6008
More data for this
Ligand-Target Pair