Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for assayid = 5 entry = 50034531   

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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363928 (CHEMBL1951575) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(cc2Cl)C2CC2)c1 Show InChI InChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50302828 (2-(4-(4-(butylcarbamoyl)-2-(2,4-dichlorophenylsulf...) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-9-21(37-22-8-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-10-7-18(27)15-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363935 (CHEMBL1951562) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O6S/c1-3-4-11-29-26(33)18-6-9-23(36-22-8-5-17(12-16(22)2)13-25(31)32)21(14-18)30-37(34,35)24-10-7-19(27)15-20(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363917 (CHEMBL1951566) Show SMILES CCCCNC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C25H22Cl2F2N2O6S/c1-2-3-8-30-25(34)14-4-6-21(37-22-13-18(28)15(9-19(22)29)11-24(32)33)20(10-14)31-38(35,36)23-7-5-16(26)12-17(23)27/h4-7,9-10,12-13,31H,2-3,8,11H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50360671 (CHEMBL1933766) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363934 (CHEMBL1951561) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C27H26ClF3N2O7S/c1-3-4-11-32-26(36)17-6-9-21(40-22-8-5-16(13-25(34)35)12-23(22)39-2)20(14-17)33-41(37,38)24-10-7-18(15-19(24)28)27(29,30)31/h5-10,12,14-15,33H,3-4,11,13H2,1-2H3,(H,32,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363923 (CHEMBL1951570) Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(cc1Cl)C(F)(F)F)C(=O)NC1CCC1 Show InChI InChI=1S/C27H24ClF3N2O7S/c1-39-23-11-15(12-25(34)35)5-8-22(23)40-21-9-6-16(26(36)32-18-3-2-4-18)13-20(21)33-41(37,38)24-10-7-17(14-19(24)28)27(29,30)31/h5-11,13-14,18,33H,2-4,12H2,1H3,(H,32,36)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50302832 (2-(4-(4-(cyclopropylcarbamoyl)-2-(2,4-dichlorophen...) Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CC1 Show InChI InChI=1S/C25H22Cl2N2O7S/c1-35-22-10-14(11-24(30)31)2-7-21(22)36-20-8-3-15(25(32)28-17-5-6-17)12-19(20)29-37(33,34)23-9-4-16(26)13-18(23)27/h2-4,7-10,12-13,17,29H,5-6,11H2,1H3,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363922 (CHEMBL1951569) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C25H23Cl3N2O6S/c1-25(2,3)29-24(33)15-5-8-21(36-20-7-4-14(10-17(20)27)11-23(31)32)19(12-15)30-37(34,35)22-9-6-16(26)13-18(22)28/h4-10,12-13,30H,11H2,1-3H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363926 (CHEMBL1951573) Show SMILES OC(=O)Cc1cc(Cl)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F Show InChI InChI=1S/C26H20Cl2F4N2O7S/c27-17-8-14(10-24(35)36)19(29)12-22(17)40-21-6-4-13(25(37)33-15-2-1-3-15)9-20(21)34-42(38,39)23-7-5-16(11-18(23)28)41-26(30,31)32/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363929 (CHEMBL1951556) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-22(37-23-9-5-16(13-25(31)32)12-24(23)36-2)21(14-17)30-38(34,35)18-7-8-19(27)20(28)15-18/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363921 (CHEMBL1951568) Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CCC2)c(Cl)c1 Show InChI InChI=1S/C25H21Cl3N2O6S/c26-16-6-9-23(19(28)13-16)37(34,35)30-20-12-15(25(33)29-17-2-1-3-17)5-8-22(20)36-21-7-4-14(10-18(21)27)11-24(31)32/h4-10,12-13,17,30H,1-3,11H2,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363936 (CHEMBL1951563) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C25H23Cl3N2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-18(21)27)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-19(23)28/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363919 (CHEMBL1951402) Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2)C(=O)NC2CCC2)c(Cl)c1 Show InChI InChI=1S/C25H22Cl2N2O6S/c26-17-6-8-19(9-7-17)36(33,34)29-21-14-16(25(32)28-18-2-1-3-18)5-11-23(21)35-22-10-4-15(12-20(22)27)13-24(30)31/h4-12,14,18,29H,1-3,13H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363915 (CHEMBL1951564) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2F)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C25H23Cl2FN2O6S/c1-2-3-10-29-25(33)16-5-8-22(36-21-7-4-15(11-19(21)28)12-24(31)32)20(13-16)30-37(34,35)23-9-6-17(26)14-18(23)27/h4-9,11,13-14,30H,2-3,10,12H2,1H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363918 (CHEMBL1951567) Show SMILES OC(=O)Cc1ccc(Oc2ccc(cc2NS(=O)(=O)c2ccc(Cl)cc2Cl)C(=O)NC2CC2)c(Cl)c1 Show InChI InChI=1S/C24H19Cl3N2O6S/c25-15-3-8-22(18(27)12-15)36(33,34)29-19-11-14(24(32)28-16-4-5-16)2-7-21(19)35-20-6-1-13(9-17(20)26)10-23(30)31/h1-3,6-9,11-12,16,29H,4-5,10H2,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363930 (CHEMBL1951557) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-11-29-26(33)17-6-10-21(37-22-9-5-16(13-25(31)32)12-23(22)36-2)20(14-17)30-38(34,35)24-15-18(27)7-8-19(24)28/h5-10,12,14-15,30H,3-4,11,13H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363927 (CHEMBL1951574) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)c1 Show InChI InChI=1S/C26H22Cl2F4N2O7S/c1-25(2,3)33-24(37)13-4-6-20(40-21-12-18(29)14(8-16(21)27)10-23(35)36)19(9-13)34-42(38,39)22-7-5-15(11-17(22)28)41-26(30,31)32/h4-9,11-12,34H,10H2,1-3H3,(H,33,37)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363920 (CHEMBL1951555) Show SMILES CC(C)(C)NC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C25H24Cl2N2O6S/c1-25(2,3)28-24(32)16-5-11-22(35-21-10-4-15(12-19(21)27)13-23(30)31)20(14-16)29-36(33,34)18-8-6-17(26)7-9-18/h4-12,14,29H,13H2,1-3H3,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363933 (CHEMBL1951560) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-21(37-22-10-8-16(14-24(31)32)13-23(22)36-2)20(15-17)30-38(34,35)25-18(27)6-5-7-19(25)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363924 (CHEMBL1951571) Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)C(=O)NC2CCC2)cc1F Show InChI InChI=1S/C26H20ClF5N2O6S/c27-17-11-15(26(30,31)32)5-7-23(17)41(38,39)34-20-9-13(25(37)33-16-2-1-3-16)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,16,34H,1-3,10H2,(H,33,37)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363916 (CHEMBL1951565) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2C#N)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C26H23Cl2N3O6S/c1-2-3-10-30-26(34)17-5-8-23(37-22-7-4-16(12-25(32)33)11-18(22)15-29)21(13-17)31-38(35,36)24-9-6-19(27)14-20(24)28/h4-9,11,13-14,31H,2-3,10,12H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363925 (CHEMBL1951572) Show SMILES OC(=O)Cc1cc(F)c(Oc2ccc(cc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)C(=O)NC2CCC2)cc1F Show InChI InChI=1S/C26H20ClF5N2O7S/c27-17-11-16(41-26(30,31)32)5-7-23(17)42(38,39)34-20-9-13(25(37)33-15-2-1-3-15)4-6-21(20)40-22-12-18(28)14(8-19(22)29)10-24(35)36/h4-9,11-12,15,34H,1-3,10H2,(H,33,37)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363932 (CHEMBL1951559) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-12-29-26(33)17-9-11-20(37-21-10-8-16(14-24(31)32)13-22(21)36-2)19(15-17)30-38(34,35)23-7-5-6-18(27)25(23)28/h5-11,13,15,30H,3-4,12,14H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50363931 (CHEMBL1951558) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1 Show InChI InChI=1S/C26H26Cl2N2O7S/c1-3-4-9-29-26(33)17-6-8-22(37-23-7-5-16(11-25(31)32)10-24(23)36-2)21(12-17)30-38(34,35)20-14-18(27)13-19(28)15-20/h5-8,10,12-15,30H,3-4,9,11H2,1-2H3,(H,29,33)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair