Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50460504'   

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))	BDBM50460504 (CHEMBL4224831) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-10-11-22(12-13-4-2-1-3-5-13)19(25)15-7-6-14-16(23(26)27)8-9-17(24)18(14)21-15/h1-9,24H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+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 Mixed inhibition of recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor complex using ...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460504 (CHEMBL4224831) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-10-11-22(12-13-4-2-1-3-5-13)19(25)15-7-6-14-16(23(26)27)8-9-17(24)18(14)21-15/h1-9,24H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40E+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 Uncompetitive inhibition of recombinant human cathepsin B endopeptidase activity assessed as inhibitory constant for enzyme-substrate-inhibitor compl...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50460504 (CHEMBL4224831) Show SMILES Oc1ccc([N+]([O-])=O)c2ccc(nc12)C(=O)N(CC#N)Cc1ccccc1 Show InChI InChI=1S/C19H14N4O4/c20-10-11-22(12-13-4-2-1-3-5-13)19(25)15-7-6-14-16(23(26)27)8-9-17(24)18(14)21-15/h1-9,24H,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.56E+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 recombinant human cathepsin B exopeptidase activity assessed as inhibitory constant for enzyme-inhibitor complex using Abz-Gly-Il...				Bioorg Med Chem Lett 28: 1239-1247 (2018) Article DOI: 10.1016/j.bmcl.2018.02.042 BindingDB Entry DOI: 10.7270/Q218394B
					More data for this Ligand-Target Pair