Compile Data Set for Download or QSAR

Found 27 hits Enz. Inhib. hit(s) with all data for entry = 6371   

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
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124922 (US8765750, 7) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1 |c:2,4| Show InChI InChI=1S/C27H35N7O2/c1-21-3-2-4-25(21)26(35)32-17-19-33(20-18-32)27(36)29-23-10-13-31(14-11-23)24-7-5-22(6-8-24)9-15-34-16-12-28-30-34/h2-8,12,16,21,23H,9-11,13-15,17-20H2,1H3,(H,29,36)	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	15	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124918 (US8765750, 3) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 |c:2,4| Show InChI InChI=1S/C30H42N6O4/c1-23-3-2-4-27(23)29(38)35-15-17-36(18-16-35)30(39)32-25-9-12-34(13-10-25)26-7-5-24(6-8-26)28(37)31-11-14-33-19-21-40-22-20-33/h2-8,23,25H,9-22H2,1H3,(H,31,37)(H,32,39)	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	27	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124925 (US8765750, 10) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCCn2ccnn2)cc1 |c:2,4| Show InChI InChI=1S/C28H37N7O2/c1-22-4-2-6-26(22)27(36)33-18-20-34(21-19-33)28(37)30-24-11-15-32(16-12-24)25-9-7-23(8-10-25)5-3-14-35-17-13-29-31-35/h2,4,6-10,13,17,22,24H,3,5,11-12,14-16,18-21H2,1H3,(H,30,37)	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	27	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124919 (US8765750, 4) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCOCC1 |c:2,4| Show InChI InChI=1S/C28H37N5O4/c1-21-3-2-4-25(21)27(35)31-13-15-33(16-14-31)28(36)29-23-9-11-30(12-10-23)24-7-5-22(6-8-24)26(34)32-17-19-37-20-18-32/h2-8,21,23H,9-20H2,1H3,(H,29,36)	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	31	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124926 (US8765750, 15) Show SMILES CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 |c:3,5| Show InChI InChI=1S/C31H44N6O4/c1-2-24-4-3-5-28(24)30(39)36-16-18-37(19-17-36)31(40)33-26-10-13-35(14-11-26)27-8-6-25(7-9-27)29(38)32-12-15-34-20-22-41-23-21-34/h3-9,24,26H,2,10-23H2,1H3,(H,32,38)(H,33,40)	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	39	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124920 (US8765750, 5) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCCC1 |c:2,4| Show InChI InChI=1S/C29H39N5O3/c1-22-6-5-7-26(22)28(36)33-18-20-34(21-19-33)29(37)30-24-12-16-31(17-13-24)25-10-8-23(9-11-25)27(35)32-14-3-2-4-15-32/h5-11,22,24H,2-4,12-21H2,1H3,(H,30,37)	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	41	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124921 (US8765750, 6) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)N1CCCC1 |c:2,4| Show InChI InChI=1S/C28H37N5O3/c1-21-5-4-6-25(21)27(35)32-17-19-33(20-18-32)28(36)29-23-11-15-30(16-12-23)24-9-7-22(8-10-24)26(34)31-13-2-3-14-31/h4-10,21,23H,2-3,11-20H2,1H3,(H,29,36)	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	52	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124924 (US8765750, 9) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCCn2nc(C)nc2C)cc1 |c:2,4| Show InChI InChI=1S/C30H41N7O2/c1-22-6-4-8-28(22)29(38)35-18-20-36(21-19-35)30(39)32-26-13-16-34(17-14-26)27-11-9-25(10-12-27)7-5-15-37-24(3)31-23(2)33-37/h4,6,8-12,22,26H,5,7,13-21H2,1-3H3,(H,32,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	61	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124916 (US8765750, 1) Show SMILES CC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(O)=O |c:2,4| Show InChI InChI=1S/C24H30N4O4/c1-17-3-2-4-21(17)22(29)27-13-15-28(16-14-27)24(32)25-19-9-11-26(12-10-19)20-7-5-18(6-8-20)23(30)31/h2-8,17,19H,9-16H2,1H3,(H,25,32)(H,30,31)	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	67	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124927 (US8765750, 16) Show SMILES CCC1C=CC=C1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(CCn2ccnn2)cc1 |c:3,5| Show InChI InChI=1S/C28H37N7O2/c1-2-23-4-3-5-26(23)27(36)33-18-20-34(21-19-33)28(37)30-24-11-14-32(15-12-24)25-8-6-22(7-9-25)10-16-35-17-13-29-31-35/h3-9,13,17,23-24H,2,10-12,14-16,18-21H2,1H3,(H,30,37)	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	68.4	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124939 (US8765750, Reference Example 12) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(Br)cc2s1 Show InChI InChI=1S/C19H16BrFN4O2S/c20-13-4-5-15-16(11-13)28-18(22-15)23-19(27)25-8-6-24(7-9-25)17(26)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2,(H,22,23,27)	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	106	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124931 (US8765750, Reference Example 4) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C28H38N6O4S/c35-26(29-9-12-31-17-19-38-20-18-31)22-3-5-24(6-4-22)32-10-7-23(8-11-32)30-28(37)34-15-13-33(14-16-34)27(36)25-2-1-21-39-25/h1-6,21,23H,7-20H2,(H,29,35)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	201	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124943 (US8765750, Reference Example 16) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(Cl)cc2s1 Show InChI InChI=1S/C19H16ClFN4O2S/c20-13-4-5-15-16(11-13)28-18(22-15)23-19(27)25-8-6-24(7-9-25)17(26)12-2-1-3-14(21)10-12/h1-5,10-11H,6-9H2,(H,22,23,27)	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	204	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124940 (US8765750, Reference Example 13) Show SMILES Cc1cc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2cc1C Show InChI InChI=1S/C21H21FN4O2S/c1-13-10-17-18(11-14(13)2)29-20(23-17)24-21(28)26-8-6-25(7-9-26)19(27)15-4-3-5-16(22)12-15/h3-5,10-12H,6-9H2,1-2H3,(H,23,24,28)	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	222	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124938 (US8765750, Reference Example 11) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C30H40N6O4/c37-28(31-12-15-33-20-22-40-23-21-33)24-6-8-27(9-7-24)34-13-10-26(11-14-34)32-30(39)36-18-16-35(17-19-36)29(38)25-4-2-1-3-5-25/h1-9,26H,10-23H2,(H,31,37)(H,32,39)	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	249	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124941 (US8765750, Reference Example 14) Show SMILES Cc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1 Show InChI InChI=1S/C20H19FN4O2S/c1-13-5-6-16-17(11-13)28-19(22-16)23-20(27)25-9-7-24(8-10-25)18(26)14-3-2-4-15(21)12-14/h2-6,11-12H,7-10H2,1H3,(H,22,23,27)	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	260	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124942 (US8765750, Reference Example 15) Show SMILES COc1ccc2nc(NC(=O)N3CCN(CC3)C(=O)c3cccc(F)c3)sc2c1 Show InChI InChI=1S/C20H19FN4O3S/c1-28-15-5-6-16-17(12-15)29-19(22-16)23-20(27)25-9-7-24(8-10-25)18(26)13-3-2-4-14(21)11-13/h2-6,11-12H,7-10H2,1H3,(H,22,23,27)	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	318	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124932 (US8765750, Reference Example 5) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1 Show InChI InChI=1S/C28H38N6O4S/c35-26(29-8-11-31-16-18-38-19-17-31)22-1-3-25(4-2-22)32-9-5-24(6-10-32)30-28(37)34-14-12-33(13-15-34)27(36)23-7-20-39-21-23/h1-4,7,20-21,24H,5-6,8-19H2,(H,29,35)(H,30,37)	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	327	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124928 (US8765750, Reference Example 1) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C28H39N7O4/c36-26(30-10-13-32-18-20-39-21-19-32)22-3-5-24(6-4-22)33-11-7-23(8-12-33)31-28(38)35-16-14-34(15-17-35)27(37)25-2-1-9-29-25/h1-6,9,23,29H,7-8,10-21H2,(H,30,36)(H,31,38)	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	334	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124933 (US8765750, Reference Example 6) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C28H38N6O5/c35-26(29-9-12-31-17-20-38-21-18-31)22-3-5-24(6-4-22)32-10-7-23(8-11-32)30-28(37)34-15-13-33(14-16-34)27(36)25-2-1-19-39-25/h1-6,19,23H,7-18,20-21H2,(H,29,35)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	445	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124929 (US8765750, Reference Example 2) Show SMILES Cc1cc(C)c([nH]1)C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C30H43N7O4/c1-22-21-23(2)32-27(22)29(39)36-13-15-37(16-14-36)30(40)33-25-7-10-35(11-8-25)26-5-3-24(4-6-26)28(38)31-9-12-34-17-19-41-20-18-34/h3-6,21,25,32H,7-20H2,1-2H3,(H,31,38)(H,33,40)	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	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124936 (US8765750, Reference Example 9) Show SMILES Cn1ccnc1C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C28H40N8O4/c1-32-12-8-29-25(32)27(38)35-14-16-36(17-15-35)28(39)31-23-6-10-34(11-7-23)24-4-2-22(3-5-24)26(37)30-9-13-33-18-20-40-21-19-33/h2-5,8,12,23H,6-7,9-11,13-21H2,1H3,(H,30,37)(H,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124935 (US8765750, Reference Example 8) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccno1 Show InChI InChI=1S/C27H37N7O5/c35-25(28-9-12-31-17-19-38-20-18-31)21-1-3-23(4-2-21)32-10-6-22(7-11-32)30-27(37)34-15-13-33(14-16-34)26(36)24-5-8-29-39-24/h1-5,8,22H,6-7,9-20H2,(H,28,35)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124934 (US8765750, Reference Example 7) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)c1ccoc1 Show InChI InChI=1S/C28H38N6O5/c35-26(29-8-11-31-16-19-38-20-17-31)22-1-3-25(4-2-22)32-9-5-24(6-10-32)30-28(37)34-14-12-33(13-15-34)27(36)23-7-18-39-21-23/h1-4,7,18,21,24H,5-6,8-17,19-20H2,(H,29,35)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124930 (US8765750, Reference Example 3) Show SMILES Cn1ccc(c1)C(=O)N1CCN(CC1)C(=O)NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C29H41N7O4/c1-32-10-6-24(22-32)28(38)35-14-16-36(17-15-35)29(39)31-25-7-11-34(12-8-25)26-4-2-23(3-5-26)27(37)30-9-13-33-18-20-40-21-19-33/h2-6,10,22,25H,7-9,11-21H2,1H3,(H,30,37)(H,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124937 (US8765750, Reference Example 10) Show SMILES O=C(NC1CCN(CC1)c1ccc(cc1)C(=O)NCCN1CCOCC1)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C29H44N6O4/c36-27(30-11-14-32-19-21-39-22-20-32)23-5-7-26(8-6-23)33-12-9-25(10-13-33)31-29(38)35-17-15-34(16-18-35)28(37)24-3-1-2-4-24/h5-8,24-25H,1-4,9-22H2,(H,30,36)(H,31,38)	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	>1.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM124944 (US8765750, Reference Example 17) Show SMILES Fc1cccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H17F4N3O2/c20-15-3-1-2-13(12-15)17(27)25-8-10-26(11-9-25)18(28)24-16-6-4-14(5-7-16)19(21,22)23/h1-7,12H,8-11H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	5.82E+3	n/a	n/a	n/a	n/a	8.0	n/a
Taiho Pharmaceutical Co., Ltd. US Patent					Assay Description The test was carried out according to the method of Urade, Y. et al. (J. Biol. Chem., 262, 3820-3825, (1987)). More specifically, the reaction mixtur...				US Patent US8765750 (2014) BindingDB Entry DOI: 10.7270/Q2862F43
					More data for this Ligand-Target Pair