Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50168937'   

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))	BDBM50168937 (CHEMBL3805807) Show SMILES O=C(NCC#N)[C@H](Cc1ccc2ccccc2c1)NC(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H23N3O2/c29-16-17-30-28(33)26(19-20-10-11-22-8-4-5-9-25(22)18-20)31-27(32)24-14-12-23(13-15-24)21-6-2-1-3-7-21/h1-15,18,26H,17,19H2,(H,30,33)(H,31,32)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	6.0	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis				ACS Med Chem Lett 7: 211-6 (2016) Article DOI: 10.1021/acsmedchemlett.5b00474 BindingDB Entry DOI: 10.7270/Q2TH8PMM
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