Compile Data Set for Download or QSAR

Found 41 hits with Last Name = 'smythe' and Initial = 'ml'   

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))	BDBM193900 (US9199976, 12) Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cccs1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C22H18N2OS/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)24-22(25)19-10-11-20(23-14-19)21-7-4-12-26-21/h2-15H,1H3,(H,24,25)/t15-/m0/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	86	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193910 (US9199976, 25) Show SMILES C[C@H](NC(=O)c1ccc(nc1)-c1cc(C)cs1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C23H20N2OS/c1-15-11-22(27-14-15)21-10-9-20(13-24-21)23(26)25-16(2)18-8-7-17-5-3-4-6-19(17)12-18/h3-14,16H,1-2H3,(H,25,26)/t16-/m0/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	180	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300129 (CHEMBL572528 | CIBACRON BLUE | Cibacron Blue 3Ga) Show SMILES Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O Show InChI InChI=1S/C29H20ClN7O11S3/c30-27-35-28(33-16-7-3-4-8-19(16)49(40,41)42)37-29(36-27)34-17-10-9-13(11-20(17)50(43,44)45)32-18-12-21(51(46,47)48)24(31)23-22(18)25(38)14-5-1-2-6-15(14)26(23)39/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193907 (US9199976, 21) Show SMILES Cc1csc(c1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C20H19N3O2S/c1-13-9-18(26-12-13)16-8-7-15(11-22-16)20(25)23-17(19(21)24)10-14-5-3-2-4-6-14/h2-9,11-12,17H,10H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/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	380	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193895 (US9199976, 5) Show SMILES O=C(NCc1ccccc1)c1ccc(nc1)-c1cccs1 Show InChI InChI=1S/C17H14N2OS/c20-17(19-11-13-5-2-1-3-6-13)14-8-9-15(18-12-14)16-7-4-10-21-16/h1-10,12H,11H2,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	597	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193897 (US9199976, 9) Show SMILES OC(=O)c1ccc(CNC(=O)c2ccc(nc2)-c2cccs2)cc1 Show InChI InChI=1S/C18H14N2O3S/c21-17(20-10-12-3-5-13(6-4-12)18(22)23)14-7-8-15(19-11-14)16-2-1-9-24-16/h1-9,11H,10H2,(H,20,21)(H,22,23)	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	660	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324491 (CHEMBL1215159 | N-Benzhydryl-5-(3-hydroxyphenyl)th...) Show SMILES Oc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H19NO2S/c26-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)25-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23,26H,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM21625 (2-phenyl-5-(1H-pyrazol-3-yl)-1,3-thiazole | 2-phen...) Show SMILES c1cc(n[nH]1)-c1cnc(s1)-c1ccccc1 Show InChI InChI=1S/C12H9N3S/c1-2-4-9(5-3-1)12-13-8-11(16-12)10-6-7-14-15-10/h1-8H,(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193909 (US9199976, 24) Show SMILES CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1)C(N)=O Show InChI InChI=1S/C22H22N4O3S/c1-14(20(23)27)25-22(29)18(12-15-6-3-2-4-7-15)26-21(28)16-9-10-17(24-13-16)19-8-5-11-30-19/h2-11,13-14,18H,12H2,1H3,(H2,23,27)(H,25,29)(H,26,28)	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	860	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324482 (CHEMBL1215370 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1cccc(O)c1 Show InChI InChI=1S/C24H21N3O3/c25-23(29)22(13-18-14-26-21-7-2-1-6-20(18)21)27-24(30)16-10-8-15(9-11-16)17-4-3-5-19(28)12-17/h1-12,14,22,26,28H,13H2,(H2,25,29)(H,27,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193894 (US9199976, 3) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1 |r| Show InChI InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)/t16-/m0/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	1.20E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324480 (CHEMBL1215516 | N-(1-Amino-1-oxo-3-phenylpropan-2-...) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(nc1)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c20-18(23)16(11-13-5-2-1-3-6-13)22-19(24)14-8-9-15(21-12-14)17-7-4-10-25-17/h1-10,12,16H,11H2,(H2,20,23)(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193899 (US9199976, 11) Show SMILES O=C(N1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(nc1)-c1cccs1 Show InChI InChI=1S/C22H20N4O2S/c27-21(15-7-8-18(23-14-15)20-6-3-13-29-20)25-11-9-16(10-12-25)26-19-5-2-1-4-17(19)24-22(26)28/h1-8,13-14,16H,9-12H2,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193898 (US9199976, 10) Show SMILES CS(=O)(=O)N1CC2(CCN(CC2)C(=O)c2ccc(nc2)-c2cccs2)c2ccccc12 Show InChI InChI=1S/C23H23N3O3S2/c1-31(28,29)26-16-23(18-5-2-3-6-20(18)26)10-12-25(13-11-23)22(27)17-8-9-19(24-15-17)21-7-4-14-30-21/h2-9,14-15H,10-13,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324485 (CHEMBL1215297 | N-(1-Amino-3-(4-hydroxyphenyl)-1-o...) Show SMILES NC(=O)C(Cc1ccc(O)cc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C21H19N3O5S/c22-19(27)16(10-12-4-6-14(25)7-5-12)23-21(29)24-20(28)18-9-8-17(30-18)13-2-1-3-15(26)11-13/h1-9,11,16,25-26H,10H2,(H2,22,27)(H2,23,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193903 (US9199976, 16) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(Cl)s1 |r| Show InChI InChI=1S/C19H16ClN3O2S/c20-17-9-8-16(26-17)14-7-6-13(11-22-14)19(25)23-15(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,15H,10H2,(H2,21,24)(H,23,25)/t15-/m0/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	1.40E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM21624 (4-{[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]a...) Show SMILES Cc1cc(ccc1F)-c1csc(Nc2ccc(C(O)=O)c(O)c2)n1 Show InChI InChI=1S/C17H13FN2O3S/c1-9-6-10(2-5-13(9)18)14-8-24-17(20-14)19-11-3-4-12(16(22)23)15(21)7-11/h2-8,21H,1H3,(H,19,20)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193902 (US9199976, 14) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1ccc(C=O)s1 |r| Show InChI InChI=1S/C20H17N3O3S/c21-19(25)17(10-13-4-2-1-3-5-13)23-20(26)14-6-8-16(22-11-14)18-9-7-15(12-24)27-18/h1-9,11-12,17H,10H2,(H2,21,25)(H,23,26)/t17-/m0/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	1.70E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300128 (1-(3-(1H-tetrazol-5-yl)propyl)-4-(benzhydryloxy)pi...) Show SMILES C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1 Show InChI InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193908 (US9199976, 23) Show SMILES Cc1ccsc1-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C20H19N3O2S/c1-13-9-10-26-18(13)16-8-7-15(12-22-16)20(25)23-17(19(21)24)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/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	1.87E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324490 (5-(3-Aminophenyl)-N-benzhydrylthiophene-2-carboxam...) Show SMILES Nc1cccc(c1)-c1ccc(s1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H20N2OS/c25-20-13-7-12-19(16-20)21-14-15-22(28-21)24(27)26-23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-16,23H,25H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193896 (US9199976, 7) Show SMILES O=C(N1CCC2(CCc3ccccc23)CC1)c1ccc(nc1)-c1cccs1 Show InChI InChI=1S/C23H22N2OS/c26-22(18-7-8-20(24-16-18)21-6-3-15-27-21)25-13-11-23(12-14-25)10-9-17-4-1-2-5-19(17)23/h1-8,15-16H,9-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.97E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193904 (US9199976, 17) Show SMILES Cc1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C20H19N3O2S/c1-13-7-10-18(26-13)16-9-8-15(12-22-16)20(25)23-17(19(21)24)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,21,24)(H,23,25)/t17-/m0/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	2.00E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324484 (CHEMBL1215298 | N-(1-Amino-3-(1H-indol-3-yl)-1-oxo...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C22H19N3O3S/c23-21(27)18(11-14-12-24-17-7-2-1-6-16(14)17)25-22(28)20-9-8-19(29-20)13-4-3-5-15(26)10-13/h1-10,12,18,24,26H,11H2,(H2,23,27)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193906 (US9199976, 19) Show SMILES NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(nc1)-c1sccc1Cl |r| Show InChI InChI=1S/C19H16ClN3O2S/c20-14-8-9-26-17(14)15-7-6-13(11-22-15)19(25)23-16(18(21)24)10-12-4-2-1-3-5-12/h1-9,11,16H,10H2,(H2,21,24)(H,23,25)/t16-/m0/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	3.20E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193901 (US9199976, 13) Show SMILES O=C(N1CCC(CC1)N1C(=O)OCc2ccccc12)c1ccc(nc1)-c1cccs1 Show InChI InChI=1S/C23H21N3O3S/c27-22(16-7-8-19(24-14-16)21-6-3-13-30-21)25-11-9-18(10-12-25)26-20-5-2-1-4-17(20)15-29-23(26)28/h1-8,13-14,18H,9-12,15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324486 (CHEMBL1215296 | N-(1-Amino-1-oxo-3-phenylpropan-2-...) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)NC(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C21H19N3O4S/c22-19(26)16(11-13-5-2-1-3-6-13)23-21(28)24-20(27)18-10-9-17(29-18)14-7-4-8-15(25)12-14/h1-10,12,16,25H,11H2,(H2,22,26)(H2,23,24,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300128 (1-(3-(1H-tetrazol-5-yl)propyl)-4-(benzhydryloxy)pi...) Show SMILES C(CN1CCC(CC1)OC(c1ccccc1)c1ccccc1)Cc1nnn[nH]1 Show InChI InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324483 (CHEMBL1215369 | N-(1-amino-1-oxo-3-phenylpropan-2-...) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccc(O)c1 Show InChI InChI=1S/C22H20N2O3/c23-21(26)20(13-15-5-2-1-3-6-15)24-22(27)17-11-9-16(10-12-17)18-7-4-8-19(25)14-18/h1-12,14,20,25H,13H2,(H2,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM193905 (US9199976, 18) Show SMILES CC(=O)c1ccc(s1)-c1ccc(cn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C21H19N3O3S/c1-13(25)18-9-10-19(28-18)16-8-7-15(12-23-16)21(27)24-17(20(22)26)11-14-5-3-2-4-6-14/h2-10,12,17H,11H2,1H3,(H2,22,26)(H,24,27)/t17-/m0/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	5.10E+3	n/a	n/a	n/a	n/a	8.0	n/a
The University of Queensland US Patent					Assay Description The H-PGDS catalyzed conjugation of GSH and 1-chloro-2,4-dinitrobenzene (CDNB) was used as the biochemical assay for enzyme inhibition. Reactions wer...				US Patent US9199976 (2015) BindingDB Entry DOI: 10.7270/Q2QV3K9Z
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324487 (CHEMBL1215295 | N-(1-Amino-4-methyl-1-oxopentan-2-...) Show SMILES CC(C)CC(NC(=O)c1ccc(s1)-c1cccc(O)c1)C(N)=O Show InChI InChI=1S/C17H20N2O3S/c1-10(2)8-13(16(18)21)19-17(22)15-7-6-14(23-15)11-4-3-5-12(20)9-11/h3-7,9-10,13,20H,8H2,1-2H3,(H2,18,21)(H,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324488 (CHEMBL1215294 | N-(2-Amino-2-oxoethyl)-5-(3-hydrox...) Show SMILES NC(=O)CNC(=O)c1ccc(s1)-c1cccc(O)c1 Show InChI InChI=1S/C13H12N2O3S/c14-12(17)7-15-13(18)11-5-4-10(19-11)8-2-1-3-9(16)6-8/h1-6,16H,7H2,(H2,14,17)(H,15,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300127 (CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...) Show SMILES O=C(c1cccs1)c1ccccc1 Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324489 (CHEMBL1215162 | N-benzhydryl-2-(3-hydroxyphenyl)th...) Show SMILES Oc1cccc(c1)-c1nc(cs1)C(=O)NC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H18N2O2S/c26-19-13-7-12-18(14-19)23-24-20(15-28-23)22(27)25-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-15,21,26H,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300127 (CHEMBL567059 | NSC-4502 | phenyl(thiophen-2-yl)met...) Show SMILES O=C(c1cccs1)c1ccccc1 Show InChI InChI=1S/C11H8OS/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324479 (5-amino-4-(3'-hydroxy-[1,1'-biphenyl]-4-ylcarboxam...) Show SMILES NC(=O)C(CCC(O)=O)NC(=O)c1cccc(c1)-c1cccc(O)c1 Show InChI InChI=1S/C18H18N2O5/c19-17(24)15(7-8-16(22)23)20-18(25)13-5-1-3-11(9-13)12-4-2-6-14(21)10-12/h1-6,9-10,15,21H,7-8H2,(H2,19,24)(H,20,25)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50324481 (CHEMBL1215446 | N-(1-amino-1-oxo-3-phenylpropan-2-...) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1O)-c1cccc(O)c1 Show InChI InChI=1S/C22H20N2O4/c23-21(27)19(11-14-5-2-1-3-6-14)24-22(28)18-10-9-16(13-20(18)26)15-7-4-8-17(25)12-15/h1-10,12-13,19,25-26H,11H2,(H2,23,27)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 DE2 by enzyme immuno assay				J Med Chem 53: 5536-48 (2010) Article DOI: 10.1021/jm100194a BindingDB Entry DOI: 10.7270/Q21J99Z4
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300126 (CHEMBL574431 | Sulfobromophthalein) Show SMILES Oc1ccc(cc1S(O)(=O)=O)C1(OC(=O)c2c1c(Br)c(Br)c(Br)c2Br)c1ccc(O)c(c1)S(O)(=O)=O Show InChI InChI=1S/C20H10Br4O10S2/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33/h1-6,25-26H,(H,28,29,30)(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300125 ((4-methoxyphenyl)(thiophen-2-yl)methanone | CHEMBL...) Show SMILES COc1ccc(cc1)C(=O)c1cccs1 Show InChI InChI=1S/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50186231 ((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...) Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50300124 ((5-(phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic ...) Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)S(=O)c1ccccc1 Show InChI InChI=1S/C15H13N3O3S/c1-21-15(19)18-14-16-12-8-7-11(9-13(12)17-14)22(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human H-PGDS expressed in Escherichia coli BL21 assessed as rate of glutathione-chloro-dinitro benzene conjugation				Eur J Med Chem 45: 447-54 (2010) Article DOI: 10.1016/j.ejmech.2009.10.025 BindingDB Entry DOI: 10.7270/Q2HD7VQT
					More data for this Ligand-Target Pair