Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50244951'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Cathepsin B (Homo sapiens (Human))	BDBM50244951 ((S)-N-(1-oxo-3-phenylpropan-2-yl)-1-(3-phenylpropa...) Show SMILES O=C[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)CCc1ccccc1 |r| Show InChI InChI=1S/C24H28N2O3/c27-18-21(17-20-11-5-2-6-12-20)25-23(29)24(15-7-8-16-24)26-22(28)14-13-19-9-3-1-4-10-19/h1-6,9-12,18,21H,7-8,13-17H2,(H,25,29)(H,26,28)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tennessee Health Science Center Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				Bioorg Med Chem Lett 18: 4806-8 (2008) Article DOI: 10.1016/j.bmcl.2008.07.094 BindingDB Entry DOI: 10.7270/Q2V987W2
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