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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50107635'   
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))		BDBM50107635
PNG
(CHEMBL140794 | N-Cyanomethyl-3-phenyl-2-phenylacet...)
Show SMILES O=C(Cc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)NCC#N
Show InChI InChI=1S/C19H19N3O2/c20-11-12-21-19(24)17(13-15-7-3-1-4-8-15)22-18(23)14-16-9-5-2-6-10-16/h1-10,17H,12-14H2,(H,21,24)(H,22,23)/t17-/m0/s1
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n/an/a 226n/an/an/an/an/an/a



Novartis Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibitiory activity of the compound against recombinant human cathepsin S (cat S) expressed in baculovirus

J Med Chem 44: 4524-34 (2001)


BindingDB Entry DOI: 10.7270/Q2GQ6X2J
More data for this
Ligand-Target Pair