Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50012614   

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
Procathepsin L (Rattus norvegicus)	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	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	77	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121028 (CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121028 (CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	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	430	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121028 (CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	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	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121028 (CHEMBL113761 | [(S)-1-((S)-7-Oxo-4-oxa-1-aza-bicyc...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21+/m0/s1	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	1.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121029 (CHEMBL116910 | [(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bic...) Show SMILES O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O5/c25-18(22-17-19(26)24-11-12-28-20(17)24)16(15-9-5-2-6-10-15)23-21(27)29-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2,(H,22,25)(H,23,27)/t16-,17+,20+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50121032 (CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1	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	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin S cysteine protease by using Cbz-Val-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50121032 (CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1	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	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin K cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121030 (CHEMBL115734 | [(S)-1-((5S,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H]1[C@@H]2OCCN2C1=O)OCc1ccccc1 Show InChI InChI=1S/C22H23N3O5/c26-19(24-18-20(27)25-11-12-29-21(18)25)17(13-15-7-3-1-4-8-15)23-22(28)30-14-16-9-5-2-6-10-16/h1-10,17-18,21H,11-14H2,(H,23,28)(H,24,26)/t17-,18+,21-/m0/s1	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	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121031 (CHEMBL419772 | [(S)-2-Methyl-1-((5R,6S)-7-oxo-4-ox...) Show SMILES CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C18H23N3O5/c1-11(2)13(20-18(24)26-10-12-6-4-3-5-7-12)15(22)19-14-16(23)21-8-9-25-17(14)21/h3-7,11,13-14,17H,8-10H2,1-2H3,(H,19,22)(H,20,24)/t13-,14+,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Procathepsin L (Rattus norvegicus)	BDBM50121032 (CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin L cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121032 (CHEMBL424441 | [(S)-1-((5R,6S)-7-Oxo-4-oxa-1-aza-b...) Show SMILES C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]1[C@H]2OCCN2C1=O Show InChI InChI=1S/C16H19N3O5/c1-10(17-16(22)24-9-11-5-3-2-4-6-11)13(20)18-12-14(21)19-7-8-23-15(12)19/h2-6,10,12,15H,7-9H2,1H3,(H,17,22)(H,18,20)/t10-,12+,15+/m0/s1	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50121029 (CHEMBL116910 | [(S)-((5R,6S)-7-Oxo-4-oxa-1-aza-bic...) Show SMILES O=C(N[C@H](C(=O)N[C@H]1[C@H]2OCCN2C1=O)c1ccccc1)OCc1ccccc1 Show InChI InChI=1S/C21H21N3O5/c25-18(22-17-19(26)24-11-12-28-20(17)24)16(15-9-5-2-6-10-15)23-21(27)29-13-14-7-3-1-4-8-14/h1-10,16-17,20H,11-13H2,(H,22,25)(H,23,27)/t16-,17+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
currently NAEJA Pharmaceutical Inc. Curated by ChEMBL					Assay Description In vitro Inhibitory activity of the compound was determined against Cathepsin B cysteine protease by using Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 12: 3413-5 (2002) BindingDB Entry DOI: 10.7270/Q2CR5SQF
					More data for this Ligand-Target Pair