Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50159149'   

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))	BDBM50159149 (CHEMBL179042 | Peptidyl boronic acid derivative) Show SMILES CC(C)CN(NC(=O)OCc1ccccc1)C(=O)CN(Cc1ccccc1)N=Cc1cccc(c1)B(O)O |w:28.30| Show InChI InChI=1S/C28H33BN4O5/c1-22(2)18-33(31-28(35)38-21-24-12-7-4-8-13-24)27(34)20-32(19-23-10-5-3-6-11-23)30-17-25-14-9-15-26(16-25)29(36)37/h3-17,22,36-37H,18-21H2,1-2H3,(H,31,35)	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	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Université Rennes 1 Curated by ChEMBL					Assay Description In vitro inhibitory activity against Factor Xa				J Med Chem 48: 330-4 (2005) Article DOI: 10.1021/jm049455f BindingDB Entry DOI: 10.7270/Q2H994PD
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