Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50032802'   

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))	BDBM50032802 (2-((E)-2-Benzenesulfonyl-vinylamino)-N-[1-benzyl-2...) Show SMILES O=C(NN1CCOCC1)NC(=O)C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)N=CCS(=O)(=O)c1ccccc1 |w:32.34| Show InChI InChI=1S/C32H37N5O6S/c38-30(28(17-16-25-10-4-1-5-11-25)33-18-23-44(41,42)27-14-8-3-9-15-27)34-29(24-26-12-6-2-7-13-26)31(39)35-32(40)36-37-19-21-43-22-20-37/h1-15,18,28-29H,16-17,19-24H2,(H,34,38)(H2,35,36,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Khepri Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Compound is evaluated for inhibitory potency against cathepsin B				J Med Chem 38: 3193-6 (1995) BindingDB Entry DOI: 10.7270/Q21C1VXJ
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