Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50067595'   

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))	BDBM50067595 (CHEMBL335942 | Cyclohexanecarboxylic acid [(S)-1-f...) Show SMILES O=C[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1 Show InChI InChI=1S/C18H22N2O2/c21-12-15(20-18(22)13-6-2-1-3-7-13)10-14-11-19-17-9-5-4-8-16(14)17/h4-5,8-9,11-13,15,19H,1-3,6-7,10H2,(H,20,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				J Med Chem 41: 4301-8 (1998) Article DOI: 10.1021/jm9803065 BindingDB Entry DOI: 10.7270/Q2VQ33CX
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