Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'leveridge' and Initial = 'mv'   

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))	BDBM50526494 (CHEMBL4439454) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CC2(C1)CC(C2)C(C)(C)O |(1.86,-17.99,;3.19,-18.77,;4.53,-18,;4.53,-16.45,;5.86,-15.68,;7.2,-16.44,;8.52,-15.67,;9.86,-16.43,;9.87,-17.98,;8.53,-18.76,;7.2,-17.99,;5.86,-18.77,;11.19,-15.65,;11.17,-14.11,;12.53,-16.41,;13.86,-15.63,;15.34,-16.02,;15.74,-14.52,;14.24,-14.14,;17.22,-14.92,;17.62,-13.43,;16.13,-13.03,;18.95,-12.66,;18.17,-11.32,;19.72,-11.32,;20.29,-13.43,)| Show InChI InChI=1S/C21H26N2O3/c1-20(2,25)15-8-21(9-15)10-16(11-21)23-19(24)14-6-13-4-5-17(26-3)7-18(13)22-12-14/h4-7,12,15-16,25H,8-11H2,1-3H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526495 (CHEMBL4452633) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)c1nccs1 Show InChI InChI=1S/C19H20N4O2S/c1-25-16-3-2-13-10-14(12-21-17(13)11-16)18(24)22-15-4-7-23(8-5-15)19-20-6-9-26-19/h2-3,6,9-12,15H,4-5,7-8H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526485 (CHEMBL4473072) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)| Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526492 (CHEMBL4454901) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)NCC(F)(F)F |r,wU:15.16,wD:18.23,(2.46,-40.3,;3.79,-41.07,;5.13,-40.3,;5.13,-38.76,;6.46,-37.99,;7.8,-38.75,;9.12,-37.98,;10.46,-38.74,;10.47,-40.29,;9.13,-41.06,;7.8,-40.3,;6.46,-41.07,;11.78,-37.96,;11.77,-36.42,;13.12,-38.72,;14.45,-37.94,;14.43,-36.4,;15.76,-35.63,;17.1,-36.39,;17.11,-37.93,;15.78,-38.7,;18.43,-35.61,;18.43,-34.07,;19.75,-33.29,;20.95,-32.58,;21.26,-33.85,;19.99,-31.7,)| Show InChI InChI=1S/C19H22F3N3O2/c1-27-16-7-2-12-8-13(10-23-17(12)9-16)18(26)25-15-5-3-14(4-6-15)24-11-19(20,21)22/h2,7-10,14-15,24H,3-6,11H2,1H3,(H,25,26)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526486 (CHEMBL4526974) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(60.01,-18.28,;60.78,-19.61,;61.55,-18.27,;62.13,-20.38,;59.46,-20.39,;58.12,-19.63,;56.79,-20.41,;56.81,-21.94,;58.14,-22.71,;59.47,-21.93,;55.48,-22.72,;54.14,-21.96,;54.13,-20.42,;52.82,-22.74,;52.83,-24.29,;51.49,-25.06,;50.16,-24.3,;48.83,-25.08,;47.49,-24.31,;46.16,-25.07,;44.83,-24.3,;43.61,-23.6,;44.57,-22.72,;43.32,-24.88,;47.5,-22.76,;48.82,-21.99,;50.16,-22.75,;51.48,-21.98,)| Show InChI InChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526498 (CHEMBL4530713) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCc2ccccc12 Show InChI InChI=1S/C20H18N2O2/c1-24-16-8-6-14-10-15(12-21-19(14)11-16)20(23)22-18-9-7-13-4-2-3-5-17(13)18/h2-6,8,10-12,18H,7,9H2,1H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526514 (CHEMBL4443093) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C20H16N4O2/c1-26-16-8-7-14-9-15(12-21-17(14)10-16)20(25)22-19-11-18(23-24-19)13-5-3-2-4-6-13/h2-12H,1H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526487 (CHEMBL4458862) Show SMILES Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 Show InChI InChI=1S/C18H19F2N7O2/c1-26-18(23-24-25-26)27-6-4-13(5-7-27)22-16(28)12-8-11-2-3-14(29-17(19)20)9-15(11)21-10-12/h2-3,8-10,13,17H,4-7H2,1H3,(H,22,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526528 (CHEMBL4467696) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1cc([nH]n1)C1CC1 Show InChI InChI=1S/C17H16N4O2/c1-23-13-5-4-11-6-12(9-18-14(11)7-13)17(22)19-16-8-15(20-21-16)10-2-3-10/h4-10H,2-3H2,1H3,(H2,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526529 (CHEMBL4483631) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(62.72,-30.6,;64.05,-31.37,;65.39,-30.6,;65.39,-29.06,;66.72,-28.29,;68.05,-29.05,;69.38,-28.28,;70.71,-29.04,;70.72,-30.59,;69.39,-31.36,;68.05,-30.6,;66.72,-31.37,;72.04,-28.26,;72.02,-26.72,;73.38,-29.02,;74.7,-28.24,;74.68,-26.71,;76.01,-25.93,;77.35,-26.69,;77.36,-28.23,;76.04,-29.01,;78.68,-25.91,;77.91,-24.57,;79.45,-24.57,;80.02,-26.68,)| Show InChI InChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23)/t15-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526493 (CHEMBL4463046) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)OCC(C)(C)O |r,wU:15.16,wD:18.23,(2.05,-27.36,;3.38,-28.14,;4.72,-27.37,;4.72,-25.82,;6.05,-25.05,;7.38,-25.82,;8.71,-25.04,;10.05,-25.8,;10.05,-27.35,;8.72,-28.13,;7.38,-27.36,;6.05,-28.14,;11.37,-25.02,;11.36,-23.48,;12.71,-25.78,;14.04,-25,;14.01,-23.47,;15.35,-22.69,;16.69,-23.45,;16.69,-24.99,;15.37,-25.77,;18.02,-22.68,;18.01,-21.14,;19.34,-20.35,;20.88,-20.35,;20.11,-21.69,;19.34,-18.82,)| Show InChI InChI=1S/C21H28N2O4/c1-21(2,25)13-27-17-8-5-16(6-9-17)23-20(24)15-10-14-4-7-18(26-3)11-19(14)22-12-15/h4,7,10-12,16-17,25H,5-6,8-9,13H2,1-3H3,(H,23,24)/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526480 (CHEMBL4454083) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1nccs1 Show InChI InChI=1S/C14H11N3O2S/c1-19-11-3-2-9-6-10(8-16-12(9)7-11)13(18)17-14-15-4-5-20-14/h2-8H,1H3,(H,15,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526488 (CHEMBL4441669) Show SMILES FC(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r| Show InChI InChI=1S/C15H13F2N3O3/c16-15(17)23-10-2-1-8-5-9(7-19-12(8)6-10)13(21)20-11-3-4-18-14(11)22/h1-2,5-7,11,15H,3-4H2,(H,18,22)(H,20,21)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526527 (CHEMBL4483661) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)c1nnnn1C Show InChI InChI=1S/C18H21N7O2/c1-24-18(21-22-23-24)25-7-5-14(6-8-25)20-17(26)13-9-12-3-4-15(27-2)10-16(12)19-11-13/h3-4,9-11,14H,5-8H2,1-2H3,(H,20,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526483 (CHEMBL4435792) Show SMILES CNC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC)ccc2c1 |r,wU:7.10,wD:4.3,(81.55,-36.7,;80.22,-37.47,;78.88,-36.71,;78.87,-35.17,;77.55,-37.49,;76.21,-36.72,;74.88,-37.5,;74.9,-39.04,;76.23,-39.8,;77.56,-39.03,;73.57,-39.82,;72.23,-39.06,;72.22,-37.52,;70.91,-39.84,;70.92,-41.39,;69.58,-42.16,;68.25,-41.39,;66.91,-42.17,;65.58,-41.4,;64.24,-42.17,;62.91,-41.4,;65.58,-39.86,;66.91,-39.09,;68.25,-39.85,;69.57,-39.08,)| Show InChI InChI=1S/C19H23N3O3/c1-20-18(23)12-3-6-15(7-4-12)22-19(24)14-9-13-5-8-16(25-2)10-17(13)21-11-14/h5,8-12,15H,3-4,6-7H2,1-2H3,(H,20,23)(H,22,24)/t12-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526517 (CHEMBL4564218) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1cc[nH]n1 Show InChI InChI=1S/C14H12N4O2/c1-20-11-3-2-9-6-10(8-15-12(9)7-11)14(19)17-13-4-5-16-18-13/h2-8H,1H3,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526534 (CHEMBL4544169) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1ccccc1 Show InChI InChI=1S/C18H16N2O2/c1-22-16-8-7-14-9-15(12-19-17(14)10-16)18(21)20-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526515 (CHEMBL4476572) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1cc(C)[nH]n1 Show InChI InChI=1S/C15H14N4O2/c1-9-5-14(19-18-9)17-15(20)11-6-10-3-4-12(21-2)7-13(10)16-8-11/h3-8H,1-2H3,(H2,17,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526548 (CHEMBL4573375) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1ccn(C)n1 Show InChI InChI=1S/C15H14N4O2/c1-19-6-5-14(18-19)17-15(20)11-7-10-3-4-12(21-2)8-13(10)16-9-11/h3-9H,1-2H3,(H,17,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526501 (CHEMBL4461589) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r| Show InChI InChI=1S/C15H15N3O3/c1-21-11-3-2-9-6-10(8-17-13(9)7-11)14(19)18-12-4-5-16-15(12)20/h2-3,6-8,12H,4-5H2,1H3,(H,16,20)(H,18,19)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526507 (CHEMBL4438813) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C17H20N2O2/c1-21-15-8-7-12-9-13(11-18-16(12)10-15)17(20)19-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Rattus norvegicus)	BDBM50526485 (CHEMBL4473072) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)| Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and mea...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Rattus norvegicus)	BDBM50526486 (CHEMBL4526974) Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(60.01,-18.28,;60.78,-19.61,;61.55,-18.27,;62.13,-20.38,;59.46,-20.39,;58.12,-19.63,;56.79,-20.41,;56.81,-21.94,;58.14,-22.71,;59.47,-21.93,;55.48,-22.72,;54.14,-21.96,;54.13,-20.42,;52.82,-22.74,;52.83,-24.29,;51.49,-25.06,;50.16,-24.3,;48.83,-25.08,;47.49,-24.31,;46.16,-25.07,;44.83,-24.3,;43.61,-23.6,;44.57,-22.72,;43.32,-24.88,;47.5,-22.76,;48.82,-21.99,;50.16,-22.75,;51.48,-21.98,)| Show InChI InChI=1S/C20H23F3N2O3/c1-19(2,27)14-4-6-15(7-5-14)25-18(26)13-9-12-3-8-16(28-20(21,22)23)10-17(12)24-11-13/h3,8-11,14-15,27H,4-7H2,1-2H3,(H,25,26)/t14-,15-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of HPGDS in RBL cells assessed as reduction in A23187-induced PGD2 production preincubated for 30 mins followed by A23187 addition and mea...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526505 (CHEMBL4591235) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C17H21N3O4S/c1-24-15-4-3-12-9-13(11-18-16(12)10-15)17(21)19-14-5-7-20(8-6-14)25(2,22)23/h3-4,9-11,14H,5-8H2,1-2H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526544 (CHEMBL4446601) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:15.16,wD:18.20,(63.3,-6.31,;64.63,-7.08,;65.97,-6.31,;65.97,-4.77,;67.3,-4,;68.64,-4.76,;69.96,-3.99,;71.3,-4.75,;71.31,-6.3,;69.97,-7.07,;68.64,-6.3,;67.3,-7.08,;72.62,-3.97,;72.61,-2.43,;73.96,-4.73,;75.29,-3.95,;75.27,-2.41,;76.6,-1.63,;77.94,-2.4,;79.27,-1.62,;77.95,-3.94,;76.62,-4.71,)| Show InChI InChI=1S/C17H20N2O3/c1-22-15-7-2-11-8-12(10-18-16(11)9-15)17(21)19-13-3-5-14(20)6-4-13/h2,7-10,13-14,20H,3-6H2,1H3,(H,19,21)/t13-,14-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526539 (CHEMBL4584855) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:15.16,wD:18.21,(3.36,-7.89,;4.69,-8.66,;6.02,-7.89,;6.03,-6.35,;7.36,-5.58,;8.69,-6.34,;10.02,-5.57,;11.35,-6.33,;11.36,-7.88,;10.03,-8.65,;8.69,-7.89,;7.36,-8.66,;12.68,-5.55,;12.67,-4.01,;14.02,-6.31,;15.35,-5.53,;15.32,-3.99,;16.66,-3.21,;17.99,-3.98,;18.76,-2.64,;19.53,-3.97,;18,-5.52,;16.68,-6.29,)| Show InChI InChI=1S/C18H22N2O3/c1-18(22)7-5-14(6-8-18)20-17(21)13-9-12-3-4-15(23-2)10-16(12)19-11-13/h3-4,9-11,14,22H,5-8H2,1-2H3,(H,20,21)/t14-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526537 (CHEMBL4476594) Show SMILES Cn1nnnc1N1CCC(CC1)NC(=O)c1cnc2cc(OC(F)(F)F)ccc2c1 Show InChI InChI=1S/C18H18F3N7O2/c1-27-17(24-25-26-27)28-6-4-13(5-7-28)23-16(29)12-8-11-2-3-14(30-18(19,20)21)9-15(11)22-10-12/h2-3,8-10,13H,4-7H2,1H3,(H,23,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526547 (CHEMBL4539130) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1ccnn1C Show InChI InChI=1S/C16H16N4O2/c1-20-13(5-6-19-20)10-18-16(21)12-7-11-3-4-14(22-2)8-15(11)17-9-12/h3-9H,10H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526533 (CHEMBL4567043) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCOCC1 Show InChI InChI=1S/C16H18N2O3/c1-20-14-3-2-11-8-12(10-17-15(11)9-14)16(19)18-13-4-6-21-7-5-13/h2-3,8-10,13H,4-7H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526518 (CHEMBL4580109) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1cn[nH]c1 Show InChI InChI=1S/C14H12N4O2/c1-20-12-3-2-9-4-10(6-15-13(9)5-12)14(19)18-11-7-16-17-8-11/h2-8H,1H3,(H,16,17)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526531 (CHEMBL4571908) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCCC1 Show InChI InChI=1S/C16H18N2O2/c1-20-14-7-6-11-8-12(10-17-15(11)9-14)16(19)18-13-4-2-3-5-13/h6-10,13H,2-5H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526504 (CHEMBL4461716) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCCNC1=O Show InChI InChI=1S/C16H17N3O3/c1-22-12-5-4-10-7-11(9-18-14(10)8-12)15(20)19-13-3-2-6-17-16(13)21/h4-5,7-9,13H,2-3,6H2,1H3,(H,17,21)(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526516 (CHEMBL4555427) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1ccnn1C Show InChI InChI=1S/C15H14N4O2/c1-19-14(5-6-17-19)18-15(20)11-7-10-3-4-12(21-2)8-13(10)16-9-11/h3-9H,1-2H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526489 (CHEMBL4469614) Show SMILES FC(F)(F)Oc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCNC1=O |r| Show InChI InChI=1S/C15H12F3N3O3/c16-15(17,18)24-10-2-1-8-5-9(7-20-12(8)6-10)13(22)21-11-3-4-19-14(11)23/h1-2,5-7,11H,3-4H2,(H,19,23)(H,21,22)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526508 (CHEMBL4520564) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1cc[nH]c(=O)c1 Show InChI InChI=1S/C17H15N3O3/c1-23-14-3-2-12-7-13(10-19-15(12)8-14)17(22)20-9-11-4-5-18-16(21)6-11/h2-8,10H,9H2,1H3,(H,18,21)(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526506 (CHEMBL4570414) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1CCN(CC1)C(C)=O Show InChI InChI=1S/C18H21N3O3/c1-12(22)21-7-5-15(6-8-21)20-18(23)14-9-13-3-4-16(24-2)10-17(13)19-11-14/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526490 (CHEMBL4446712) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:15.16,wD:17.19,(25.64,-23.98,;26.97,-24.75,;28.31,-23.98,;28.31,-22.44,;29.64,-21.67,;30.97,-22.43,;32.3,-21.66,;33.64,-22.42,;33.65,-23.97,;32.31,-24.74,;30.98,-23.98,;29.64,-24.76,;34.96,-21.64,;34.95,-20.1,;36.3,-22.4,;37.63,-21.62,;38.02,-20.14,;39.51,-20.52,;40.27,-19.18,;41.05,-20.51,;39.12,-22.01,)| Show InChI InChI=1S/C16H18N2O3/c1-16(20)7-12(8-16)18-15(19)11-5-10-3-4-13(21-2)6-14(10)17-9-11/h3-6,9,12,20H,7-8H2,1-2H3,(H,18,19)/t12-,16+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526479 (CHEMBL4469436) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1ccn[nH]1 Show InChI InChI=1S/C15H14N4O2/c1-21-13-3-2-10-6-11(8-16-14(10)7-13)15(20)17-9-12-4-5-18-19-12/h2-8H,9H2,1H3,(H,17,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526538 (CHEMBL4520607) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@@H]1C[C@H](O)C1 |r,wU:15.16,17.19,(25.43,-7.2,;26.76,-7.98,;28.1,-7.21,;28.1,-5.66,;29.43,-4.89,;30.76,-5.66,;32.09,-4.88,;33.42,-5.64,;33.43,-7.19,;32.1,-7.97,;30.76,-7.2,;29.43,-7.98,;34.75,-4.86,;34.74,-3.32,;36.09,-5.62,;37.42,-4.84,;38.91,-5.23,;39.3,-3.74,;40.62,-2.96,;37.81,-3.36,)| Show InChI InChI=1S/C15H16N2O3/c1-20-13-3-2-9-4-10(8-16-14(9)7-13)15(19)17-11-5-12(18)6-11/h2-4,7-8,11-12,18H,5-6H2,1H3,(H,17,19)/t11-,12+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526541 (CHEMBL4521862) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NC1C(=O)Nc2ccccc12 Show InChI InChI=1S/C19H15N3O3/c1-25-13-7-6-11-8-12(10-20-16(11)9-13)18(23)22-17-14-4-2-3-5-15(14)21-19(17)24/h2-10,17H,1H3,(H,21,24)(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526513 (CHEMBL4547202) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1ccn(C)n1 Show InChI InChI=1S/C16H16N4O2/c1-20-6-5-13(19-20)10-18-16(21)12-7-11-3-4-14(22-2)8-15(11)17-9-12/h3-9H,10H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526549 (CHEMBL4547648) Show SMILES COc1ccc2cc(cnc2c1)C(=O)Nc1ncc[nH]1 Show InChI InChI=1S/C14H12N4O2/c1-20-11-3-2-9-6-10(8-17-12(9)7-11)13(19)18-14-15-4-5-16-14/h2-8H,1H3,(H2,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526511 (CHEMBL4550149) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1nnn[nH]1 Show InChI InChI=1S/C13H12N6O2/c1-21-10-3-2-8-4-9(6-14-11(8)5-10)13(20)15-7-12-16-18-19-17-12/h2-6H,7H2,1H3,(H,15,20)(H,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526491 (CHEMBL4525227) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@H](O)C1 |r,wU:15.16,wD:17.19,(25.93,-15.18,;27.27,-15.96,;28.6,-15.19,;28.6,-13.64,;29.93,-12.87,;31.27,-13.64,;32.59,-12.86,;33.93,-13.62,;33.94,-15.17,;32.6,-15.95,;31.27,-15.18,;29.94,-15.96,;35.25,-12.84,;35.24,-11.3,;36.59,-13.6,;37.92,-12.82,;38.31,-11.34,;39.8,-11.72,;41.13,-10.94,;39.42,-13.21,)| Show InChI InChI=1S/C15H16N2O3/c1-20-13-3-2-9-4-10(8-16-14(9)7-13)15(19)17-11-5-12(18)6-11/h2-4,7-8,11-12,18H,5-6H2,1H3,(H,17,19)/t11-,12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526477 (CHEMBL4563481) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCCN1CCNC1=O Show InChI InChI=1S/C16H18N4O3/c1-23-13-3-2-11-8-12(10-19-14(11)9-13)15(21)17-4-6-20-7-5-18-16(20)22/h2-3,8-10H,4-7H2,1H3,(H,17,21)(H,18,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526512 (CHEMBL4468172) Show SMILES COc1ccc2cc(cnc2c1)C(=O)NCc1cn(C)cn1 Show InChI InChI=1S/C16H16N4O2/c1-20-9-13(19-10-20)8-18-16(21)12-5-11-3-4-14(22-2)6-15(11)17-7-12/h3-7,9-10H,8H2,1-2H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526502 (CHEMBL4552112) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CCOC1 |r| Show InChI InChI=1S/C15H16N2O3/c1-19-13-3-2-10-6-11(8-16-14(10)7-13)15(18)17-12-4-5-20-9-12/h2-3,6-8,12H,4-5,9H2,1H3,(H,17,18)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526482 (CHEMBL4547156) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:15.16,wD:17.20,(25.64,-23.98,;26.97,-24.75,;28.31,-23.98,;28.31,-22.44,;29.64,-21.67,;30.97,-22.43,;32.3,-21.66,;33.64,-22.42,;33.65,-23.97,;32.31,-24.74,;30.98,-23.98,;29.64,-24.76,;34.96,-21.64,;34.95,-20.1,;36.3,-22.4,;37.63,-21.62,;38.02,-20.14,;39.51,-20.52,;40.98,-20.56,;40.44,-19.25,;39.12,-22.01,)| Show InChI InChI=1S/C16H18N2O3/c1-16(20)7-12(8-16)18-15(19)11-5-10-3-4-13(21-2)6-14(10)17-9-11/h3-6,9,12,20H,7-8H2,1-2H3,(H,18,19)/t12-,16-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526496 (CHEMBL4575981) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CNC(=O)C1 |r| Show InChI InChI=1S/C15H15N3O3/c1-21-12-3-2-9-4-10(7-16-13(9)6-12)15(20)18-11-5-14(19)17-8-11/h2-4,6-7,11H,5,8H2,1H3,(H,17,19)(H,18,20)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair
Hematopoietic prostaglandin D synthase (Homo sapiens (Human))	BDBM50526500 (CHEMBL4588916) Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CONC1=O |r| Show InChI InChI=1S/C14H13N3O4/c1-20-10-3-2-8-4-9(6-15-11(8)5-10)13(18)16-12-7-21-17-14(12)19/h2-6,12H,7H2,1H3,(H,16,18)(H,17,19)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of full-length human His6-tagged HPGDS expressed in Escherichia coli BL21 (DE3) using PGH2 as substrate measured after 90 to 120 secs by R...				Bioorg Med Chem 27: 1456-1478 (2019) Article DOI: 10.1016/j.bmc.2019.02.017 BindingDB Entry DOI: 10.7270/Q2QV3R00
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 80 total )  |  Next  |  Last  >>

Jump to: