Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50042382   

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
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425166 (CHEMBL2313573) Show SMILES CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 |r,THB:12:11:10.4.5:7.8| Show InChI InChI=1S/C24H24N4O3S/c1-14(29)26-16-9-17-4-5-18(10-16)28(17)12-15-13-30-21-11-19(6-7-20(15)21)31-24-27-23-22(32-24)3-2-8-25-23/h2-3,6-8,11,13,16-18H,4-5,9-10,12H2,1H3,(H,26,29)/t16-,17+,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425170 (CHEMBL2313569) Show SMILES CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 Show InChI InChI=1S/C22H22N4O3S/c1-14(27)24-16-6-9-26(10-7-16)12-15-13-28-19-11-17(4-5-18(15)19)29-22-25-21-20(30-22)3-2-8-23-21/h2-5,8,11,13,16H,6-7,9-10,12H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425148 (CHEMBL2313566) Show SMILES OC(=O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 Show InChI InChI=1S/C22H20N2O4S/c25-21(26)14-7-9-24(10-8-14)12-15-13-27-19-11-16(5-6-17(15)19)28-22-23-18-3-1-2-4-20(18)29-22/h1-6,11,13-14H,7-10,12H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425151 (CHEMBL2313563) Show SMILES C(N1CCCCC1)c1coc2cc(Oc3nc4ncccc4s3)ccc12 Show InChI InChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)12-14-13-24-17-11-15(6-7-16(14)17)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11,13H,1-3,9-10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425157 (CHEMBL2313272) Show SMILES CC(=O)N1CC2CC1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 Show InChI InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-7-16(26)10-25(15)9-14-12-28-19-8-17(4-5-18(14)19)29-22-24-21-20(30-22)3-2-6-23-21/h2-6,8,12,15-16H,7,9-11H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425168 (CHEMBL2313571) Show SMILES O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 Show InChI InChI=1S/C24H24N4O3S/c29-22-4-2-10-28(22)17-7-11-27(12-8-17)14-16-15-30-20-13-18(5-6-19(16)20)31-24-26-23-21(32-24)3-1-9-25-23/h1,3,5-6,9,13,15,17H,2,4,7-8,10-12,14H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425164 (CHEMBL2313265) Show SMILES CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12 |r| Show InChI InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-7-16(26)10-25(15)9-14-12-28-19-8-17(4-5-18(14)19)29-22-24-21-20(30-22)3-2-6-23-21/h2-6,8,12,15-16H,7,9-11H2,1H3/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425163 (CHEMBL2313266) Show SMILES CC(=O)N1CC2CC1CN2Cc1cc2cc(Oc3nc4ncccc4s3)ccc2o1 Show InChI InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-9-16(26)10-25(15)12-18-8-14-7-17(4-5-19(14)28-18)29-22-24-21-20(30-22)3-2-6-23-21/h2-8,15-16H,9-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425149 (CHEMBL2313565) Show SMILES C(N1CCOCC1)c1coc2cc(Oc3nc4ncccc4s3)ccc12 Show InChI InChI=1S/C19H17N3O3S/c1-2-17-18(20-5-1)21-19(26-17)25-14-3-4-15-13(12-24-16(15)10-14)11-22-6-8-23-9-7-22/h1-5,10,12H,6-9,11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425167 (CHEMBL2313572) Show SMILES CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 |r,THB:12:11:10.4.5:7.8| Show InChI InChI=1S/C25H25N3O3S/c1-15(29)26-17-10-18-6-7-19(11-17)28(18)13-16-14-30-23-12-20(8-9-21(16)23)31-25-27-22-4-2-3-5-24(22)32-25/h2-5,8-9,12,14,17-19H,6-7,10-11,13H2,1H3,(H,26,29)/t17-,18+,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425153 (CHEMBL2313561) Show SMILES C(N1CCCCC1)c1cc2cc(Oc3nc4ncccc4s3)ccc2o1 Show InChI InChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)13-16-12-14-11-15(6-7-17(14)24-16)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11-12H,1-3,9-10,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425171 (CHEMBL2313568) Show SMILES CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 Show InChI InChI=1S/C23H23N3O3S/c1-15(27)24-17-8-10-26(11-9-17)13-16-14-28-21-12-18(6-7-19(16)21)29-23-25-20-4-2-3-5-22(20)30-23/h2-7,12,14,17H,8-11,13H2,1H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425152 (CHEMBL2313562) Show SMILES C(N1CCCCC1)c1cc2ccc(Oc3nc4ncccc4s3)cc2o1 Show InChI InChI=1S/C20H19N3O2S/c1-2-9-23(10-3-1)13-16-11-14-6-7-15(12-17(14)24-16)25-20-22-19-18(26-20)5-4-8-21-19/h4-8,11-12H,1-3,9-10,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425160 (CHEMBL2313269) Show SMILES CC(=O)N1CC2CC1CN2Cc1cc2ccc(Oc3nc4ncccc4s3)cc2o1 Show InChI InChI=1S/C22H20N4O3S/c1-13(27)26-11-15-8-16(26)10-25(15)12-18-7-14-4-5-17(9-19(14)28-18)29-22-24-21-20(30-22)3-2-6-23-21/h2-7,9,15-16H,8,10-12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425169 (CHEMBL2313570) Show SMILES O=C1CCCN1C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1 Show InChI InChI=1S/C25H25N3O3S/c29-24-6-3-11-28(24)18-9-12-27(13-10-18)15-17-16-30-22-14-19(7-8-20(17)22)31-25-26-21-4-1-2-5-23(21)32-25/h1-2,4-5,7-8,14,16,18H,3,6,9-13,15H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425165 (CHEMBL2313264) Show SMILES CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ccccc4s3)ccc12 |r| Show InChI InChI=1S/C23H21N3O3S/c1-14(27)26-12-16-8-17(26)11-25(16)10-15-13-28-21-9-18(6-7-19(15)21)29-23-24-20-4-2-3-5-22(20)30-23/h2-7,9,13,16-17H,8,10-12H2,1H3/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425147 (CHEMBL2313567) Show SMILES OC(=O)C1CCN(Cc2coc3cc(Oc4nc5ncccc5s4)ccc23)CC1 Show InChI InChI=1S/C21H19N3O4S/c25-20(26)13-5-8-24(9-6-13)11-14-12-27-17-10-15(3-4-16(14)17)28-21-23-19-18(29-21)2-1-7-22-19/h1-4,7,10,12-13H,5-6,8-9,11H2,(H,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425154 (CHEMBL2313560) Show SMILES C(N1CCCCC1)c1coc2cc(Oc3nc4ccccc4s3)ccc12 Show InChI InChI=1S/C21H20N2O2S/c1-4-10-23(11-5-1)13-15-14-24-19-12-16(8-9-17(15)19)25-21-22-18-6-2-3-7-20(18)26-21/h2-3,6-9,12,14H,1,4-5,10-11,13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Mus musculus)	BDBM50425150 (CHEMBL2313564) Show SMILES C(N1CCOCC1)c1coc2cc(Oc3nc4ccccc4s3)ccc12 Show InChI InChI=1S/C20H18N2O3S/c1-2-4-19-17(3-1)21-20(26-19)25-15-5-6-16-14(13-24-18(16)11-15)12-22-7-9-23-10-8-22/h1-6,11,13H,7-10,12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC Curated by ChEMBL					Assay Description Inhibition of LTA4H in CD1 mouse whole blood assessed as decrease in calcium ionophore-stimulated LTB4 production incubated for 15 mins prior to calc...				Bioorg Med Chem Lett 23: 811-5 (2013) Article DOI: 10.1016/j.bmcl.2012.11.074 BindingDB Entry DOI: 10.7270/Q27H1KW1
					More data for this Ligand-Target Pair