Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM93201'   

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))	BDBM93201 (Mercaptomethyl ketone Inhibitor, 50) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CSCc1ccccc1 |r| Show InChI InChI=1S/C28H39N3O4S/c1-21(2)17-25(31-28(34)35-18-22-11-5-3-6-12-22)27(33)30-24(15-9-10-16-29)26(32)20-36-19-23-13-7-4-8-14-23/h3-8,11-14,21,24-25H,9-10,15-20,29H2,1-2H3,(H,30,33)(H,31,34)/t24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
University of California-Berkeley					Assay Description A fluorometric high-throughput assay for activity against cathepsin B was performed in 96-well microtiter plates. The assay were performed in Dynate...				J Comb Chem 5: 869-80 (2003) Article DOI: 10.1021/cc034008r BindingDB Entry DOI: 10.7270/Q28914GH
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