Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50095489'   

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 K (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human cathepsin K				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin K receptor using gelatinase assay				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin K using Z-Phe-Arg-pNA as substrate				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory constant of the compound against human cathepsin K				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50095489 (CHEMBL275080 | N-(1-Cyano-pyrrolidin-3-yl)-benzene...) Show SMILES O=S(=O)(NC1CCN(C1)C#N)c1ccccc1 Show InChI InChI=1S/C11H13N3O2S/c12-9-14-7-6-10(8-14)13-17(15,16)11-4-2-1-3-5-11/h1-5,10,13H,6-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibitory activity tested against Human Cathepsin K receptor using bone resorption assay				J Med Chem 44: 94-104 (2001) BindingDB Entry DOI: 10.7270/Q2DV1J4R
					More data for this Ligand-Target Pair