Compile Data Set for Download or QSAR

Found 1079 hits with Last Name = 'kirrane' and Initial = 'tm'   

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
Pantetheinase (Homo sapiens (Human))	BDBM408834 (US10364255, Ex. 25) Show SMILES O=C(N1CC[C@@H](C1)N1CCCC1=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C19H24N4O3/c24-16-2-1-7-23(16)14-3-8-22(12-14)18(25)13-10-15-17(20-11-13)21-19(4-5-19)6-9-26-15/h10-11,14H,1-9,12H2,(H,20,21)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184269 (US9150577, 139) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1nc2ccccc2n1CCCN(C)C |r| Show InChI InChI=1S/C26H30N6O2/c1-16-17(2)32-22-15-19(11-10-18(22)14-23(32)25(34)27-16)24(33)29-26-28-20-8-5-6-9-21(20)31(26)13-7-12-30(3)4/h5-6,8-11,14-17H,7,12-13H2,1-4H3,(H,27,34)(H,28,29,33)/t16-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408835 (US10364255, Ex. 26) Show SMILES O=C(N1CC[C@@H](C1)N1CCOC1=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C18H22N4O4/c23-16(21-5-1-13(11-21)22-6-8-26-17(22)24)12-9-14-15(19-10-12)20-18(2-3-18)4-7-25-14/h9-10,13H,1-8,11H2,(H,19,20)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM168025 (US9073926, 59) Show SMILES C[C@@H]1CNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C22H20N6O2/c1-14-10-23-22(30)19-9-16-7-8-18(26-20(16)28(14)19)21(29)25-17-11-24-27(13-17)12-15-5-3-2-4-6-15/h2-9,11,13-14H,10,12H2,1H3,(H,23,30)(H,25,29)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9073926 (2015) BindingDB Entry DOI: 10.7270/Q2BP01J6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408845 (US10364255, Ex. 37) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1)C(C)=O |r| Show InChI InChI=1S/C18H24N4O3/c1-12(23)21(2)14-3-7-22(11-14)17(24)13-9-15-16(19-10-13)20-18(4-5-18)6-8-25-15/h9-10,14H,3-8,11H2,1-2H3,(H,19,20)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289984 (2-Methyl-8-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-ylox...) Show SMILES CN1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O Show InChI InChI=1S/C26H27N5O3/c1-30-11-7-26(25(30)32)8-12-31(13-9-26)16-19-17-33-23-14-20(3-4-21(19)23)34-24-5-2-18(15-27-24)22-6-10-28-29-22/h2-6,10,14-15,17H,7-9,11-13,16H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.220	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184222 (US9150577, 82) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-4-27-17-8-6-5-7-16(17)25-22(27)26-20(29)15-10-9-14-11-19-21(30)24-13-23(2,3)28(19)18(14)12-15/h5-12H,4,13H2,1-3H3,(H,24,30)(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.25	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM168034 (US9073926, 68) Show SMILES CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccncc2)c1 Show InChI InChI=1S/C22H21N7O2/c1-14-4-9-24-22(31)19-10-16-2-3-18(27-20(16)29(14)19)21(30)26-17-11-25-28(13-17)12-15-5-7-23-8-6-15/h2-3,5-8,10-11,13-14H,4,9,12H2,1H3,(H,24,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9073926 (2015) BindingDB Entry DOI: 10.7270/Q2BP01J6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289920 (2-Methoxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin-2-y...) Show SMILES COCC(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289869 (N-((R)-1-{6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]...) Show SMILES CC(=O)N[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM168027 (US9073926, 61) Show SMILES C[C@H]1NC(=O)c2cc3ccc(nc3n2[C@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H22N6O2/c1-14-15(2)29-20(23(31)25-14)10-17-8-9-19(27-21(17)29)22(30)26-18-11-24-28(13-18)12-16-6-4-3-5-7-16/h3-11,13-15H,12H2,1-2H3,(H,25,31)(H,26,30)/t14-,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9073926 (2015) BindingDB Entry DOI: 10.7270/Q2BP01J6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289983 ((S)-3-Hydroxy-1-(1-{6-[5-(2H- pyrazol-3-yl)-pyridi...) Show SMILES O[C@H]1CCN(C2CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)CC2)C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.360	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184235 (US9150577, 98) Show SMILES CN(C)CCCn1c(NC(=O)c2ccc3cc4C(=O)NCC(C)(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C26H30N6O2/c1-26(2)16-27-24(34)22-14-17-10-11-18(15-21(17)32(22)26)23(33)29-25-28-19-8-5-6-9-20(19)31(25)13-7-12-30(3)4/h5-6,8-11,14-15H,7,12-13,16H2,1-4H3,(H,27,34)(H,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289980 (N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-ben...) Show SMILES CC(=O)NCC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 Show InChI InChI=1S/C25H27N5O3/c1-17(31)26-13-18-7-10-30(11-8-18)15-20-16-32-24-12-21(3-4-22(20)24)33-25-5-2-19(14-27-25)23-6-9-28-29-23/h2-6,9,12,14,16,18H,7-8,10-11,13,15H2,1H3,(H,26,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3 (Homo sapiens (Human))	BDBM168012 (US9073926, 46) Show SMILES CC1CCNC(=O)c2cc3ccc(nc3n12)C(=O)Nc1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H22N6O2/c1-15-9-10-24-23(31)20-11-17-7-8-19(27-21(17)29(15)20)22(30)26-18-12-25-28(14-18)13-16-5-3-2-4-6-16/h2-8,11-12,14-15H,9-10,13H2,1H3,(H,24,31)(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9073926 (2015) BindingDB Entry DOI: 10.7270/Q2BP01J6
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408829 (US10364255, Ex. 21) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC3(CC3)COc2c1)C(C)=O |r| Show InChI InChI=1S/C17H22N4O3/c1-11(22)20(2)13-3-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(4-5-17)10-24-14/h7-8,13H,3-6,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289864 (2-Hydroxy-1-(4-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-...) Show SMILES OCC(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1 Show InChI InChI=1S/C25H25N5O3/c31-17-25(32)30-11-9-29(10-12-30)16-18-1-2-20-14-22(5-3-19(20)13-18)33-24-6-4-21(15-26-24)23-7-8-27-28-23/h1-8,13-15,31H,9-12,16-17H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408828 (US10364255, Ex. 20 | US10364255, Ex. 22) Show SMILES O=C(N1CCC(C1)c1ccncc1)c1cnc2NC3(CC3)COc2c1 Show InChI InChI=1S/C19H20N4O2/c24-18(23-8-3-14(11-23)13-1-6-20-7-2-13)15-9-16-17(21-10-15)22-19(4-5-19)12-25-16/h1-2,6-7,9-10,14H,3-5,8,11-12H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184270 (US9150577, 140) Show SMILES C[C@@H]1NC(=O)c2cc3ccc(cc3n2[C@@H]1C)C(=O)Nc1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C24H23N5O2/c1-15-16(2)29-21-11-19(9-8-18(21)10-22(29)24(31)26-15)23(30)27-20-12-25-28(14-20)13-17-6-4-3-5-7-17/h3-12,14-16H,13H2,1-2H3,(H,26,31)(H,27,30)/t15-,16+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289987 (2-Hydroxy-N-methyl-N-((R)-1-{6- [5-(2H-pyrazol-3-y...) Show SMILES CN([C@@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.420	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289989 (2-Hydroxy-1-(7-{6-[5-(2H-pyrazol- 3-yl)-pyridin-2-...) Show SMILES OCC(=O)N1CCC2(CCN(Cc3coc4cc(Oc5ccc(cn5)-c5ccn[nH]5)ccc34)C2)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289917 ((S)-2-Hydroxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin...) Show SMILES C[C@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289897 (1-(4-{6-[5-(2H-Pyrazol-3-yl)-pyrimidin- 2-yloxy]-n...) Show SMILES CCC(=O)N1CCN(Cc2ccc3cc(Oc4ncc(cn4)-c4ccn[nH]4)ccc3c2)CC1 Show InChI InChI=1S/C25H26N6O2/c1-2-24(32)31-11-9-30(10-12-31)17-18-3-4-20-14-22(6-5-19(20)13-18)33-25-26-15-21(16-27-25)23-7-8-28-29-23/h3-8,13-16H,2,9-12,17H2,1H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289858 (1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-naphtha...) Show SMILES OC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 Show InChI InChI=1S/C22H20N4O2/c27-19-13-26(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)28-22-6-4-18(11-23-22)21-7-8-24-25-21/h1-11,19,27H,12-14H2,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289918 (2-Hydroxy-2-methyl-1-(8-{6-[5-(2H- pyrazol-3-yl)-p...) Show SMILES CC(C)(O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289859 (1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2- yloxy]-naphth...) Show SMILES NC(=O)C1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 Show InChI InChI=1S/C23H21N5O2/c24-23(29)19-13-28(14-19)12-15-1-2-17-10-20(5-3-16(17)9-15)30-22-6-4-18(11-25-22)21-7-8-26-27-21/h1-11,19H,12-14H2,(H2,24,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289932 (1-[1-(2-{6-[5-(2H-Pyrazol-3-yl)- pyridin-2-yloxy]-...) Show SMILES O=C1CCCN1C1CCN(CCc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 Show InChI InChI=1S/C27H29N5O3/c33-27-2-1-12-32(27)21-9-14-31(15-10-21)13-8-20-18-34-25-16-22(4-5-23(20)25)35-26-6-3-19(17-28-26)24-7-11-29-30-24/h3-7,11,16-18,21H,1-2,8-10,12-15H2,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM290023 (2-Methyl-3-oxo-3-(4-{6-[5-(2H-pyrazol- 3-yl)-pyrid...) Show SMILES CC(C#N)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289867 (2-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-naphtha...) Show SMILES OC1CC2(C1)CN(Cc1ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c1)C2 Show InChI InChI=1S/C25H24N4O2/c30-21-11-25(12-21)15-29(16-25)14-17-1-2-19-10-22(5-3-18(19)9-17)31-24-6-4-20(13-26-24)23-7-8-27-28-23/h1-10,13,21,30H,11-12,14-16H2,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289861 ((1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-napht...) Show SMILES OCC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 Show InChI InChI=1S/C23H22N4O2/c28-15-17-13-27(14-17)12-16-1-2-19-10-21(5-3-18(19)9-16)29-23-6-4-20(11-24-23)22-7-8-25-26-22/h1-11,17,28H,12-15H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289976 (1-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2- yloxy]-benzof...) Show SMILES CNC(=O)C1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 Show InChI InChI=1S/C24H25N5O3/c1-25-24(30)16-7-10-29(11-8-16)14-18-15-31-22-12-19(3-4-20(18)22)32-23-5-2-17(13-26-23)21-6-9-27-28-21/h2-6,9,12-13,15-16H,7-8,10-11,14H2,1H3,(H,25,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.490	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408822 (US10364255, Ex. 14) Show SMILES CN([C@H]1CCN(C1)C(=O)c1cnc2NC(C)(C)COc2c1)C(C)=O |r| Show InChI InChI=1S/C17H24N4O3/c1-11(22)20(4)13-5-6-21(9-13)16(23)12-7-14-15(18-8-12)19-17(2,3)10-24-14/h7-8,13H,5-6,9-10H2,1-4H3,(H,18,19)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289866 (2-Hydroxy-N-(1-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-...) Show SMILES OCC(=O)NC1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)CC1 Show InChI InChI=1S/C26H27N5O3/c32-17-25(33)29-22-8-11-31(12-9-22)16-18-1-2-20-14-23(5-3-19(20)13-18)34-26-6-4-21(15-27-26)24-7-10-28-30-24/h1-7,10,13-15,22,32H,8-9,11-12,16-17H2,(H,28,30)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289860 (N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-nap...) Show SMILES CC(=O)NC1CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 Show InChI InChI=1S/C24H23N5O2/c1-16(30)27-21-14-29(15-21)13-17-2-3-19-11-22(6-4-18(19)10-17)31-24-7-5-20(12-25-24)23-8-9-26-28-23/h2-12,21H,13-15H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18207 ((1R,2S,10S,11S,13R,14R,15S,17S)-1-fluoro-14,17-dih...) Show SMILES [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24| Show InChI InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at glucocorticoid receptor in HFF assessed as inhibition of IL1-induced IL-6 production after 18 to 24 hrs				Bioorg Med Chem Lett 21: 6842-51 (2011) Article DOI: 10.1016/j.bmcl.2011.09.018 BindingDB Entry DOI: 10.7270/Q2CV4J51
					More data for this Ligand-Target Pair				3D Structure (crystal)
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289916 ((1-Hydroxy-cyclopropyl)-(8-{6-[5- (2H-pyrazol-3-yl...) Show SMILES OC1(CC1)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289868 (3-Methyl-1-{6-[5-(2H-pyrazol-3- yl)-pyridin-2-ylox...) Show SMILES CC1(O)CN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 Show InChI InChI=1S/C23H22N4O2/c1-23(28)14-27(15-23)13-16-2-3-18-11-20(6-4-17(18)10-16)29-22-7-5-19(12-24-22)21-8-9-25-26-21/h2-12,28H,13-15H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.530	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289919 ((R)-2-Hydroxy-1-(8-{6-[5-(2H-pyrazol-3-yl)-pyridin...) Show SMILES C[C@@H](O)C(=O)N1CC2CCC(C1)N2Cc1ccc2cc(Oc3ccc(cn3)-c3ccn[nH]3)ccc2n1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.540	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289977 (N-(1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-ben...) Show SMILES CC(=O)NC1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 Show InChI InChI=1S/C24H25N5O3/c1-16(30)27-19-7-10-29(11-8-19)14-18-15-31-23-12-20(3-4-21(18)23)32-24-5-2-17(13-25-24)22-6-9-26-28-22/h2-6,9,12-13,15,19H,7-8,10-11,14H2,1H3,(H,26,28)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM290002 (2-Methoxy-2-methyl-1-(4-{6- [5-(2H-pyrazol-3-yl)-p...) Show SMILES COC(C)(C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 Show InChI InChI=1S/C27H30N6O3/c1-27(2,35-3)26(34)33-14-12-32(13-15-33)18-21-6-4-19-16-22(7-8-23(19)30-21)36-25-9-5-20(17-28-25)24-10-11-29-31-24/h4-11,16-17H,12-15,18H2,1-3H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289988 (2-Hydroxy-N-methyl-N-((S)-1-{6- [5-(2H-pyrazol-3-y...) Show SMILES CN([C@H]1CCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)C1)C(=O)CO |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289863 ((R)-1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-na...) Show SMILES O[C@@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM290014 ((R)-2-Methoxy-1-(4-{6-[5-(2H-pyrazol- 3-yl)-pyridi...) Show SMILES CO[C@H](C)C(=O)N1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3n2)CC1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289970 (1-(4-{6-[5-(2H-Pyrazol-3-yl)-pyridin-2-yloxy]-benz...) Show SMILES CC(=O)N1CCCN(Cc2coc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc23)CC1 Show InChI InChI=1S/C24H25N5O3/c1-17(30)29-10-2-9-28(11-12-29)15-19-16-31-23-13-20(4-5-21(19)23)32-24-6-3-18(14-25-24)22-7-8-26-27-22/h3-8,13-14,16H,2,9-12,15H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184201 (US9150577, 57) Show SMILES CC1CNC(=O)c2cc3ccc(cc3n12)C(=O)Nc1nc2ccccc2[nH]1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289968 (1-(4-{6-[4-(2H-Pyrazol-3-yl)- phenoxy]-imidazo[1,2...) Show SMILES CC(=O)N1CCN(Cc2cn3cc(Oc4ccc(cc4)-c4ccn[nH]4)ccc3n2)CC1 Show InChI InChI=1S/C23H24N6O2/c1-17(30)28-12-10-27(11-13-28)14-19-15-29-16-21(6-7-23(29)25-19)31-20-4-2-18(3-5-20)22-8-9-24-26-22/h2-9,15-16H,10-14H2,1H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408824 (US10364255, Ex. 16) Show SMILES O=C(N1CC[C@@H](C1)N1CCOC1=O)c1cnc2NC3(CC3)COc2c1 |r| Show InChI InChI=1S/C17H20N4O4/c22-15(20-4-1-12(9-20)21-5-6-24-16(21)23)11-7-13-14(18-8-11)19-17(2-3-17)10-25-13/h7-8,12H,1-6,9-10H2,(H,18,19)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Pantetheinase (Homo sapiens (Human))	BDBM408833 (US10364255, Ex. 24) Show SMILES CN1C(=O)CC[C@@]11CCN(C1)C(=O)c1cnc2NC3(CC3)CCOc2c1 |r| Show InChI InChI=1S/C19H24N4O3/c1-22-15(24)2-3-19(22)6-8-23(12-19)17(25)13-10-14-16(20-11-13)21-18(4-5-18)7-9-26-14/h10-11H,2-9,12H2,1H3,(H,20,21)/t19-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingleheim International GmbH US Patent					Assay Description Method 1:Vanin-1 Enzymatic Assay:The test compounds are dissolved in 100% DMSO at a concentration of 10 mM and in a first step diluted in DMSO to a c...				US Patent US10364255 (2019) BindingDB Entry DOI: 10.7270/Q28S4S8N
					More data for this Ligand-Target Pair
Leukotriene A-4 hydrolase (Homo sapiens (Human))	BDBM289862 ((S)-1-{6-[5-(2H-Pyrazol-3-yl)-pyridin- 2-yloxy]-na...) Show SMILES O[C@H]1CCN(Cc2ccc3cc(Oc4ccc(cn4)-c4ccn[nH]4)ccc3c2)C1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The compounds of the invention are assessed for the ability to interact with human LTA4 hydrolase in an enzymatic assay that measures the ability of ...				US Patent US9573957 (2017) BindingDB Entry DOI: 10.7270/Q27S7QTT
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2 (Homo sapiens (Human))	BDBM184290 (US9150577, 166) Show SMILES CCn1c(NC(=O)c2ccc3cc4C(=O)NCCC(C)n4c3c2)nc2ccccc12 Show InChI InChI=1S/C23H23N5O2/c1-3-27-18-7-5-4-6-17(18)25-23(27)26-21(29)16-9-8-15-12-20-22(30)24-11-10-14(2)28(20)19(15)13-16/h4-9,12-14H,3,10-11H2,1-2H3,(H,24,30)(H,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Human RSK2 protein, purchased from Invitrogen, is used to measure kinase activity utilizing Kinase Glo Plus (Promega) a homogeneous assay technology,...				US Patent US9150577 (2015) BindingDB Entry DOI: 10.7270/Q2GB22V6
					More data for this Ligand-Target Pair

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