Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50005234   

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))	BDBM50034671 (CHEMBL41327 | Phosphoric acid diethyl ester 4-isop...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cc(OC)cc2C(C)C)S1(=O)=O Show InChI InChI=1S/C16H24NO8PS/c1-6-23-26(19,24-7-2)25-10-17-16(18)15-13(11(3)4)8-12(22-5)9-14(15)27(17,20)21/h8-9,11H,6-7,10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034676 (CHEMBL41881 | Phosphoric acid 4-sec-butyl-1,1,3-tr...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)CC)S1(=O)=O Show InChI InChI=1S/C16H24NO7PS/c1-5-12(4)13-9-8-10-14-15(13)16(18)17(26(14,20)21)11-24-25(19,22-6-2)23-7-3/h8-10,12H,5-7,11H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034677 (CHEMBL288810 | Phosphoric acid diethyl ester 4-iso...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cccc2C(C)C)S1(=O)=O Show InChI InChI=1S/C15H22NO7PS/c1-5-21-24(18,22-6-2)23-10-16-15(17)14-12(11(3)4)8-7-9-13(14)25(16,19)20/h7-9,11H,5-6,10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034668 (CHEMBL39165 | Phosphoric acid diethyl ester 6-hydr...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2c(cc(O)cc2C(C)C)S1(=O)=O Show InChI InChI=1S/C15H22NO8PS/c1-5-22-25(19,23-6-2)24-9-16-15(18)14-12(10(3)4)7-11(17)8-13(14)26(16,20)21/h7-8,10,17H,5-6,9H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034678 (CHEMBL288700 | Phosphoric acid diphenyl ester 1,1,...) Show SMILES O=C1N(COP(=O)(Oc2ccccc2)Oc2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C20H16NO7PS/c22-20-18-13-7-8-14-19(18)30(24,25)21(20)15-26-29(23,27-16-9-3-1-4-10-16)28-17-11-5-2-6-12-17/h1-14H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034674 (CHEMBL291271 | Phosphoric acid dibutyl ester 1,1,3...) Show SMILES CCCCOP(=O)(OCCCC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C16H24NO7PS/c1-3-5-11-22-25(19,23-12-6-4-2)24-13-17-16(18)14-9-7-8-10-15(14)26(17,20)21/h7-10H,3-6,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034672 (CHEMBL290748 | Phosphoric acid dibenzyl ester 1,1,...) Show SMILES O=C1N(COP(=O)(OCc2ccccc2)OCc2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C22H20NO7PS/c24-22-20-13-7-8-14-21(20)32(26,27)23(22)17-30-31(25,28-15-18-9-3-1-4-10-18)29-16-19-11-5-2-6-12-19/h1-14H,15-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034675 (CHEMBL41874 | Dibutyl-phosphinic acid 1,1,3-trioxo...) Show SMILES CCCCP(=O)(CCCC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C16H24NO5PS/c1-3-5-11-23(19,12-6-4-2)22-13-17-16(18)14-9-7-8-10-15(14)24(17,20)21/h7-10H,3-6,11-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034670 (CHEMBL38479 | Diphenyl-phosphinic acid 1,1,3-triox...) Show SMILES O=C1N(COP(=O)(c2ccccc2)c2ccccc2)S(=O)(=O)c2ccccc12 Show InChI InChI=1S/C20H16NO5PS/c22-20-18-13-7-8-14-19(18)28(24,25)21(20)15-26-27(23,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14H,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034673 (CHEMBL41423 | Phosphoric acid diethyl ester 1,1,3-...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H16NO7PS/c1-3-18-21(15,19-4-2)20-9-13-12(14)10-7-5-6-8-11(10)22(13,16)17/h5-8H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description In vitro inhibitory activity against Human leukocyte elastase				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034673 (CHEMBL41423 | Phosphoric acid diethyl ester 1,1,3-...) Show SMILES CCOP(=O)(OCC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C12H16NO7PS/c1-3-18-21(15,19-4-2)20-9-13-12(14)10-7-5-6-8-11(10)22(13,16)17/h5-8H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50034669 (CHEMBL290189 | Phosphoric acid dimethyl ester 1,1,...) Show SMILES COP(=O)(OC)OCN1C(=O)c2ccccc2S1(=O)=O Show InChI InChI=1S/C10H12NO7PS/c1-16-19(13,17-2)18-7-11-10(12)8-5-3-4-6-9(8)20(11,14)15/h3-6H,7H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sterling Winthrop Pharmaceuticals Research Division Curated by ChEMBL					Assay Description Inhibitory activity against Human leukocyte elastase was determined				J Med Chem 38: 1571-4 (1995) BindingDB Entry DOI: 10.7270/Q2M32TS7
					More data for this Ligand-Target Pair