Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50007831   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against human leukocyte elastase.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against human leukocyte elastase.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50068298 (4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...) Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1 Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against human leukocyte elastase.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against trypsin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against thrombin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against urokinase.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against thrombin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against Coagulation factor X				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50068298 (4-Benzyloxycarbonylamino-benzoic acid 1,1,3-trioxo...) Show SMILES O=C(Nc1ccc(cc1)C(=O)OCN1C(=O)c2ccccc2S1(=O)=O)OCc1ccccc1 Show InChI InChI=1S/C23H18N2O7S/c26-21-19-8-4-5-9-20(19)33(29,30)25(21)15-32-22(27)17-10-12-18(13-11-17)24-23(28)31-14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against thrombin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against urokinase.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against plasmin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against Coagulation factor X				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Serine protease 1/Trypsin-2 (Homo sapiens (Human))	BDBM50068284 (3-Benzyloxycarbonylamino-propionic acid 1,1,3-trio...) Show SMILES O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C19H18N2O7S/c22-17(10-11-20-19(24)27-12-14-6-2-1-3-7-14)28-13-21-18(23)15-8-4-5-9-16(15)29(21,25)26/h1-9H,10-13H2,(H,20,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against trypsin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50068280 (5-Benzyloxycarbonylamino-pentanoic acid 1,1,3-trio...) Show SMILES O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C21H22N2O7S/c24-19(12-6-7-13-22-21(26)29-14-16-8-2-1-3-9-16)30-15-23-20(25)17-10-4-5-11-18(17)31(23,27)28/h1-5,8-11H,6-7,12-15H2,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity was measured against plasmin.				J Med Chem 41: 4854-60 (1998) Article DOI: 10.1021/jm9804580 BindingDB Entry DOI: 10.7270/Q21N8083
					More data for this Ligand-Target Pair