Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 6530   

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))	BDBM136527 (US8865714, 14) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C28H38N6O3/c1-30-13-5-6-25(30)27(36)33-18-20-34(21-19-33)28(37)29-23-7-9-24(10-8-23)31-16-11-22(12-17-31)26(35)32-14-3-2-4-15-32/h5-10,13,22H,2-4,11-12,14-21H2,1H3,(H,29,37)	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	32	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136525 (US8865714, 12) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCCn2ccnn2)CC1 Show InChI InChI=1S/C27H36N8O2/c1-31-13-3-5-25(31)26(36)33-18-20-34(21-19-33)27(37)29-23-6-8-24(9-7-23)32-15-10-22(11-16-32)4-2-14-35-17-12-28-30-35/h3,5-9,12-13,17,22H,2,4,10-11,14-16,18-21H2,1H3,(H,29,37)	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	37	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136523 (US8865714, 10) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2cccn2)CC1 Show InChI InChI=1S/C27H35N7O2/c1-30-13-2-4-25(30)26(35)32-18-20-33(21-19-32)27(36)29-23-5-7-24(8-6-23)31-15-9-22(10-16-31)11-17-34-14-3-12-28-34/h2-8,12-14,22H,9-11,15-21H2,1H3,(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	40	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136519 (US8865714, 6) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCN2CCOCC2)CC1 Show InChI InChI=1S/C28H40N6O3/c1-30-11-2-3-26(30)27(35)33-15-17-34(18-16-33)28(36)29-24-4-6-25(7-5-24)32-13-9-23(10-14-32)8-12-31-19-21-37-22-20-31/h2-7,11,23H,8-10,12-22H2,1H3,(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	43	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136524 (US8865714, 11) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCCn2cncn2)CC1 Show InChI InChI=1S/C27H36N8O2/c1-31-12-3-5-25(31)26(36)33-16-18-34(19-17-33)27(37)30-23-6-8-24(9-7-23)32-14-10-22(11-15-32)4-2-13-35-21-28-20-29-35/h3,5-9,12,20-22H,2,4,10-11,13-19H2,1H3,(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	46	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136517 (US8865714, 4) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CN2CCOCC2)CC1 Show InChI InChI=1S/C27H38N6O3/c1-29-10-2-3-25(29)26(34)32-13-15-33(16-14-32)27(35)28-23-4-6-24(7-5-23)31-11-8-22(9-12-31)21-30-17-19-36-20-18-30/h2-7,10,22H,8-9,11-21H2,1H3,(H,28,35)	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	54	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136514 (US8865714, 1) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(O)CC1 Show InChI InChI=1S/C22H29N5O3/c1-24-10-2-3-20(24)21(29)26-13-15-27(16-14-26)22(30)23-17-4-6-18(7-5-17)25-11-8-19(28)9-12-25/h2-7,10,19,28H,8-9,11-16H2,1H3,(H,23,30)	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	58	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136529 (US8865714, 16) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C29H41N7O4/c1-32-11-2-3-26(32)28(38)35-15-17-36(18-16-35)29(39)31-24-4-6-25(7-5-24)34-12-8-23(9-13-34)27(37)30-10-14-33-19-21-40-22-20-33/h2-7,11,23H,8-10,12-22H2,1H3,(H,30,37)(H,31,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136528 (US8865714, 15) Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1ccc(NC(=O)N2CCN(CC2)C(=O)c2cccn2C)cc1 Show InChI InChI=1S/C28H39N7O3/c1-30-14-16-33(17-15-30)26(36)22-9-12-32(13-10-22)24-7-5-23(6-8-24)29-28(38)35-20-18-34(19-21-35)27(37)25-4-3-11-31(25)2/h3-8,11,22H,9-10,12-21H2,1-2H3,(H,29,38)	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	60	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136530 (US8865714, 17) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)NCc1cccnc1 Show InChI InChI=1S/C29H35N7O3/c1-33-13-3-5-26(33)28(38)35-16-18-36(19-17-35)29(39)32-24-6-8-25(9-7-24)34-14-10-23(11-15-34)27(37)31-21-22-4-2-12-30-20-22/h2-9,12-13,20,23H,10-11,14-19,21H2,1H3,(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	60	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136521 (US8865714, 8) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=N)Nc1ccc(cc1)N1CCC(CCn2cncn2)CC1 Show InChI InChI=1S/C26H35N9O/c1-31-11-2-3-24(31)25(36)33-15-17-34(18-16-33)26(27)30-22-4-6-23(7-5-22)32-12-8-21(9-13-32)10-14-35-20-28-19-29-35/h2-7,11,19-21H,8-10,12-18H2,1H3,(H2,27,30)	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	62	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136518 (US8865714, 5) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2cncn2)C1 Show InChI InChI=1S/C25H32N8O2/c1-29-10-2-3-23(29)24(34)30-13-15-31(16-14-30)25(35)28-21-4-6-22(7-5-21)32-11-8-20(17-32)9-12-33-19-26-18-27-33/h2-7,10,18-20H,8-9,11-17H2,1H3,(H,28,35)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136520 (US8865714, 7) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CCn2ccnn2)CC1 Show InChI InChI=1S/C26H34N8O2/c1-30-12-2-3-24(30)25(35)32-17-19-33(20-18-32)26(36)28-22-4-6-23(7-5-22)31-13-8-21(9-14-31)10-15-34-16-11-27-29-34/h2-7,11-12,16,21H,8-10,13-15,17-20H2,1H3,(H,28,36)	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	71	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136516 (US8865714, 3) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H36N6O4/c1-29-10-2-3-24(29)26(35)31-13-15-33(16-14-31)27(36)28-22-4-6-23(7-5-22)30-11-8-21(9-12-30)25(34)32-17-19-37-20-18-32/h2-7,10,21H,8-9,11-20H2,1H3,(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	76	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136522 (US8865714, 9) Show SMILES Cc1nc(C)n(CCC2CCN(CC2)c2ccc(NC(=O)N3CCN(CC3)C(=O)c3cccn3C)cc2)n1 Show InChI InChI=1S/C28H38N8O2/c1-21-29-22(2)36(31-21)16-12-23-10-14-33(15-11-23)25-8-6-24(7-9-25)30-28(38)35-19-17-34(18-20-35)27(37)26-5-4-13-32(26)3/h4-9,13,23H,10-12,14-20H2,1-3H3,(H,30,38)	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	85	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136515 (US8865714, 2) Show SMILES Cn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C23H29N5O4/c1-25-10-2-3-20(25)21(29)27-13-15-28(16-14-27)23(32)24-18-4-6-19(7-5-18)26-11-8-17(9-12-26)22(30)31/h2-7,10,17H,8-9,11-16H2,1H3,(H,24,32)(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	86	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136526 (US8865714, 13) Show SMILES CCn1cccc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N6O4/c1-2-30-11-3-4-25(30)27(36)32-14-16-34(17-15-32)28(37)29-23-5-7-24(8-6-23)31-12-9-22(10-13-31)26(35)33-18-20-38-21-19-33/h3-8,11,22H,2,9-10,12-21H2,1H3,(H,29,37)	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	91	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136534 (US8865714, Reference Example 4) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C26H33N5O4S/c32-24(30-15-17-35-18-16-30)20-7-9-28(10-8-20)22-5-3-21(4-6-22)27-26(34)31-13-11-29(12-14-31)25(33)23-2-1-19-36-23/h1-6,19-20H,7-18H2,(H,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136541 (US8865714, Reference Example 11) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C28H35N5O4/c34-26(22-4-2-1-3-5-22)31-14-16-33(17-15-31)28(36)29-24-6-8-25(9-7-24)30-12-10-23(11-13-30)27(35)32-18-20-37-21-19-32/h1-9,23H,10-21H2,(H,29,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	437	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136535 (US8865714, Reference Example 5) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccsc1 Show InChI InChI=1S/C26H33N5O4S/c32-24(30-14-16-35-17-15-30)20-5-8-28(9-6-20)23-3-1-22(2-4-23)27-26(34)31-12-10-29(11-13-31)25(33)21-7-18-36-19-21/h1-4,7,18-20H,5-6,8-17H2,(H,27,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	732	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136542 (US8865714, Reference Example 12) Show SMILES CC1C(=Cc2ccccc12)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 |c:2| Show InChI InChI=1S/C32H39N5O4/c1-23-28-5-3-2-4-25(28)22-29(23)31(39)35-14-16-37(17-15-35)32(40)33-26-6-8-27(9-7-26)34-12-10-24(11-13-34)30(38)36-18-20-41-21-19-36/h2-9,22-24H,10-21H2,1H3,(H,33,40)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136531 (US8865714, Reference Example 1) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccc[nH]1 Show InChI InChI=1S/C26H34N6O4/c33-24(31-16-18-36-19-17-31)20-7-10-29(11-8-20)22-5-3-21(4-6-22)28-26(35)32-14-12-30(13-15-32)25(34)23-2-1-9-27-23/h1-6,9,20,27H,7-8,10-19H2,(H,28,35)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136543 (US8865714, Reference Example 18) Show SMILES Fc1cccc(n1)C(=O)N1CCN(CC1)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F Show InChI InChI=1S/C19H15F4N5O2S/c20-15-3-1-2-13(24-15)16(29)27-6-8-28(9-7-27)18(30)26-17-25-12-5-4-11(19(21,22)23)10-14(12)31-17/h1-5,10H,6-9H2,(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136532 (US8865714, Reference Example 2) Show SMILES Cc1cc(C)c([nH]1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N6O4/c1-20-19-21(2)29-25(20)27(36)32-11-13-34(14-12-32)28(37)30-23-3-5-24(6-4-23)31-9-7-22(8-10-31)26(35)33-15-17-38-18-16-33/h3-6,19,22,29H,7-18H2,1-2H3,(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	>1.00E+3	n/a	n/a	n/a	n/a	8.0	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136539 (US8865714, Reference Example 9) Show SMILES Cn1ccnc1C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H35N7O4/c1-29-11-8-27-23(29)25(35)31-12-14-33(15-13-31)26(36)28-21-2-4-22(5-3-21)30-9-6-20(7-10-30)24(34)32-16-18-37-19-17-32/h2-5,8,11,20H,6-7,9-10,12-19H2,1H3,(H,28,36)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136538 (US8865714, Reference Example 8) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccno1 Show InChI InChI=1S/C25H32N6O5/c32-23(30-15-17-35-18-16-30)19-6-9-28(10-7-19)21-3-1-20(2-4-21)27-25(34)31-13-11-29(12-14-31)24(33)22-5-8-26-36-22/h1-5,8,19H,6-7,9-18H2,(H,27,34)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136537 (US8865714, Reference Example 7) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccoc1 Show InChI InChI=1S/C26H33N5O5/c32-24(30-14-17-35-18-15-30)20-5-8-28(9-6-20)23-3-1-22(2-4-23)27-26(34)31-12-10-29(11-13-31)25(33)21-7-16-36-19-21/h1-4,7,16,19-20H,5-6,8-15,17-18H2,(H,27,34)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136536 (US8865714, Reference Example 6) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C26H33N5O5/c32-24(30-15-18-35-19-16-30)20-7-9-28(10-8-20)22-5-3-21(4-6-22)27-26(34)31-13-11-29(12-14-31)25(33)23-2-1-17-36-23/h1-6,17,20H,7-16,18-19H2,(H,27,34)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136533 (US8865714, Reference Example 3) Show SMILES Cn1ccc(c1)C(=O)N1CCN(CC1)C(=O)Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C27H36N6O4/c1-29-9-6-22(20-29)26(35)31-12-14-33(15-13-31)27(36)28-23-2-4-24(5-3-23)30-10-7-21(8-11-30)25(34)32-16-18-37-19-17-32/h2-6,9,20-21H,7-8,10-19H2,1H3,(H,28,36)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM136540 (US8865714, Reference Example 10) Show SMILES O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)N1CCN(CC1)C(=O)C1CCCC1 Show InChI InChI=1S/C27H39N5O4/c33-25(21-3-1-2-4-21)30-13-15-32(16-14-30)27(35)28-23-5-7-24(8-6-23)29-11-9-22(10-12-29)26(34)31-17-19-36-20-18-31/h5-8,21-22H,1-4,9-20H2,(H,28,35)	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	25
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 US8865714 (2014) BindingDB Entry DOI: 10.7270/Q2QF8RKC
					More data for this Ligand-Target Pair