Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8345   

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))	BDBM241999 (4,4'-(Ethane-1,2-diylbis(phenylazanediyl))bis(...) Show SMILES CN(CCN(Cc1cc(=O)oc2c(O)c(O)ccc12)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H24N2O4/c1-26(19-8-4-2-5-9-19)14-15-27(20-10-6-3-7-11-20)17-18-16-23(29)31-25-21(18)12-13-22(28)24(25)30/h2-13,16,28,30H,14-15,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	125	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM241995 (4,4'-(Ethane-1,2-diylbis(phenylazanediyl))bis(...) Show SMILES CN(CCN(Cc1cc(=O)oc2cc(O)c(O)cc12)c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H24N2O4/c1-26(19-8-4-2-5-9-19)12-13-27(20-10-6-3-7-11-20)17-18-14-25(30)31-24-16-23(29)22(28)15-21(18)24/h2-11,14-16,28-29H,12-13,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM241998 (4-((4-(2-Fluorophenyl)piperazin-1-yl)methyl)-6,7-d...) Show SMILES Oc1ccc2c(CN3CCN(CC3)c3ccccc3F)cc(=O)oc2c1O Show InChI InChI=1S/C20H19FN2O4/c21-15-3-1-2-4-16(15)23-9-7-22(8-10-23)12-13-11-18(25)27-20-14(13)5-6-17(24)19(20)26/h1-6,11,24,26H,7-10,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM241994 (4-((4-(2-Fluorophenyl)piperazin-1-yl)methyl)-7,8-d...) Show SMILES Oc1cc2oc(=O)cc(CN3CCN(CC3)c3ccccc3F)c2cc1O Show InChI InChI=1S/C20H19FN2O4/c21-15-3-1-2-4-16(15)23-7-5-22(6-8-23)12-13-9-20(26)27-19-11-18(25)17(24)10-14(13)19/h1-4,9-11,24-25H,5-8,12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	323	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM241997 (7,8-Dihydroxy-4-((4-hydroxypiperidin-1-yl)methyl)-...) Show SMILES OC1CCN(Cc2cc(=O)oc3cc(O)c(O)cc23)CC1 Show InChI InChI=1S/C15H17NO5/c17-10-1-3-16(4-2-10)8-9-5-15(20)21-14-7-13(19)12(18)6-11(9)14/h5-7,10,17-19H,1-4,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	395	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50148911 ((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...) Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9| Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	416	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM241996 (7,8-Dihydroxy-4-((3-hydroxypiperidin-1-yl)methyl)-...) Show SMILES OC1CCCN(Cc2cc(=O)oc3cc(O)c(O)cc23)C1 Show InChI InChI=1S/C15H17NO5/c17-10-2-1-3-16(8-10)7-9-4-15(20)21-14-6-13(19)12(18)5-11(9)14/h4-6,10,17-19H,1-3,7-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	737	n/a	n/a	n/a	n/a	n/a	n/a
Giresun University					Assay Description The elastase inhibitor activity was examined using N-succinyl-Ala-Ala-Ala-pnitroanilide (STANA) as the substrate and by the measuring of the release ...				J Enzyme Inhib Med Chem 28: 870-5 (2013) Article DOI: 10.3109/14756366.2012.692086 BindingDB Entry DOI: 10.7270/Q2S46QV9
					More data for this Ligand-Target Pair