Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50067614'   

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))	BDBM50067614 ((S)-N-[(R)-1-Formyl-2-(1H-indol-3-yl)-ethyl]-3-(na...) Show SMILES COC(=O)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C=O Show InChI InChI=1S/C26H25N3O6S/c1-35-25(31)14-23(29-36(33,34)24-12-6-8-17-7-2-3-10-21(17)24)26(32)28-19(16-30)13-18-15-27-22-11-5-4-9-20(18)22/h2-12,15-16,19,23,27,29H,13-14H2,1H3,(H,28,32)/t19-,23+/m1/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	65	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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