Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50031698'   

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))	BDBM50031698 (CHEMBL3360289) Show SMILES CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)C(=O)NCC(=O)N1CCCCC1 |r| Show InChI InChI=1S/C32H41N5O6/c1-21(2)27(28(39)32(43)33-20-26(38)37-17-11-6-12-18-37)36-29(40)22(3)34-31(42)25(19-23-13-7-4-8-14-23)35-30(41)24-15-9-5-10-16-24/h4-5,7-10,13-16,21-22,25,27H,6,11-12,17-20H2,1-3H3,(H,33,43)(H,34,42)(H,35,41)(H,36,40)/t22-,25-,27-/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	81	n/a	n/a	n/a	n/a	n/a	n/a
Domainex Ltd. Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using ABz-Gly-Ile-Val-Arg-Ala-Lys-DNP-OH as substrate after 10 mins by fluorescence assay				J Med Chem 57: 9447-62 (2014) Article DOI: 10.1021/jm501102h BindingDB Entry DOI: 10.7270/Q2R212ZW
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