Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'Cathepsin K' and Ligand = 'BDBM50095491'   

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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	140	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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	40	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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	40	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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	7.0	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Cathepsin K at pH 7				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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	5.5	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of Cathepsin K at pH 5.5				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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	5.5	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Effect of 10 mM of GSH on the inhibitory activity of compound against Cathepsin K, at pH 5.5				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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.0	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Effect of 10 mM of GSH on the inhibitory activity against Cathepsin K, at pH 7				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))	BDBM50095491 ((1-Cyano-pyrrolidin-3-yl)-carbamic acid benzyl est...) Show SMILES O=C(NC1CCN(C1)C#N)OCc1ccccc1 Show InChI InChI=1S/C13H15N3O2/c14-10-16-7-6-12(8-16)15-13(17)18-9-11-4-2-1-3-5-11/h1-5,12H,6-9H2,(H,15,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.41E+3	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