Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50425023'   

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))	BDBM50425023 (CHEMBL2312205) Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Noncompetitive inhibition of human recombinant cathepsin B exopeptidase activity using Abz-Gly-Ile-Val-Arg-Ala-Lys(Dnp)-OH substrate				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50425023 (CHEMBL2312205) Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.13E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-sub...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50425023 (CHEMBL2312205) Show SMILES CCOC(=O)C1CCN(CC1)c1ccc([N+]([O-])=O)c2cccnc12 Show InChI InChI=1S/C17H19N3O4/c1-2-24-17(21)12-7-10-19(11-8-12)15-6-5-14(20(22)23)13-4-3-9-18-16(13)15/h3-6,9,12H,2,7-8,10-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.62E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Mixed inhibition of human recombinant cathepsin B endopeptidase activity using Z-Arg-Arg-AMC substrate assessed as inhibition constant for enzyme-inh...				J Med Chem 56: 521-33 (2013) Article DOI: 10.1021/jm301544x BindingDB Entry DOI: 10.7270/Q24Q7W9J
					More data for this Ligand-Target Pair