Compile Data Set for Download or QSAR

Found 277 hits Enz. Inhib. hit(s) with all data for entry = 50039768   

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))	BDBM50035031 (CHEMBL3343129) Show SMILES COCCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C25H26F3N3O4/c1-15-3-7-20-17(12-22(32)33)14-31(23(20)29-15)21-8-6-19(25(26,27)28)11-18(21)13-30(9-10-35-2)24(34)16-4-5-16/h3,6-8,11,14,16H,4-5,9-10,12-13H2,1-2H3,(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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035030 (CHEMBL3343128) Show SMILES Cc1ccc2c(CC(O)=O)cn(-c3ccc(cc3CN(CCOc3ccccc3)C(=O)C3CC3)C(F)(F)F)c2n1 Show InChI InChI=1S/C30H28F3N3O4/c1-19-7-11-25-21(16-27(37)38)18-36(28(25)34-19)26-12-10-23(30(31,32)33)15-22(26)17-35(29(39)20-8-9-20)13-14-40-24-5-3-2-4-6-24/h2-7,10-12,15,18,20H,8-9,13-14,16-17H2,1H3,(H,37,38)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034810 (CHEMBL3338109) Show SMILES COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CCNC(=O)c23)c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN2O6S/c1-14-19(23-20(9-10-26-24(23)30)27(14)13-22(28)29)12-15-11-17(33-2)5-8-21(15)34(31,32)18-6-3-16(25)4-7-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 30 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035019 (CHEMBL3343118) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)c2ccc(C)nn12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C24H24F3N3O3/c1-3-29(23(33)15-5-6-15)13-17-10-18(24(25,26)27)7-8-19(17)21-11-16(12-22(31)32)20-9-4-14(2)28-30(20)21/h4,7-11,15H,3,5-6,12-13H2,1-2H3,(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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034812 (CHEMBL3338130) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CC(C)(C)NC2=O)n1CC(O)=O Show InChI InChI=1S/C25H26N2O5S/c1-16-19(23-20(27(16)15-22(28)29)14-25(2,3)26-24(23)30)13-17-9-7-8-12-21(17)33(31,32)18-10-5-4-6-11-18/h4-12H,13-15H2,1-3H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 60 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034960 (CHEMBL3342994) Show SMILES CCN(Cc1cc(ccc1-c1nn(CC(O)=O)c2cccc(F)c12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H21F4N3O3/c1-2-29(22(33)13-6-7-13)11-14-10-15(23(25,26)27)8-9-16(14)21-20-17(24)4-3-5-18(20)30(28-21)12-19(31)32/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034809 (CHEMBL3338090) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C23H22N2O5S/c1-15-18(22-19(11-12-24-23(22)28)25(15)14-21(26)27)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,24,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 30 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50355998 (CHEMBL1911333 | US8772288, 67) Show SMILES Cc1nnc([nH]1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCN(CC2)S(C)(=O)=O)c1 Show InChI InChI=1S/C23H25N5O3S/c1-14-4-5-17(21-24-15(2)26-27-21)12-18(14)16-6-7-19-20(13-16)25-22(29)23(19)8-10-28(11-9-23)32(3,30)31/h4-7,12-13H,8-11H2,1-3H3,(H,25,29)(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034979 (CHEMBL3343106) Show SMILES CCN(Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C23H24FN3O3/c1-3-26(23(30)15-5-6-15)12-17-10-18(24)7-9-20(17)27-13-16(11-21(28)29)19-8-4-14(2)25-22(19)27/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035026 (CHEMBL3343124) Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H27F3N4O3/c1-3-34(27(38)32-15-19-7-5-4-6-8-19)16-21-13-22(28(29,30)31)10-12-24(21)35-17-20(14-25(36)37)23-11-9-18(2)33-26(23)35/h4-13,17H,3,14-16H2,1-2H3,(H,32,38)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034809 (CHEMBL3338090) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C23H22N2O5S/c1-15-18(22-19(11-12-24-23(22)28)25(15)14-21(26)27)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,24,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 15 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034918 (CHEMBL3338135) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(ccn(C)c2=O)n1CC(O)=O Show InChI InChI=1S/C24H22N2O5S/c1-16-19(23-20(26(16)15-22(27)28)12-13-25(2)24(23)29)14-17-8-6-7-11-21(17)32(30,31)18-9-4-3-5-10-18/h3-13H,14-15H2,1-2H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034914 (CHEMBL3338131) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(CC(C)(C)NC2=O)n1CC(O)=O Show InChI InChI=1S/C25H25FN2O5S/c1-15-19(23-20(28(15)14-22(29)30)13-25(2,3)27-24(23)31)12-16-6-4-5-7-21(16)34(32,33)18-10-8-17(26)9-11-18/h4-11H,12-14H2,1-3H3,(H,27,31)(H,29,30)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035023 (CHEMBL3343121) Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)COC Show InChI InChI=1S/C23H24F3N3O4/c1-4-28(20(30)13-33-3)11-16-9-17(23(24,25)26)6-8-19(16)29-12-15(10-21(31)32)18-7-5-14(2)27-22(18)29/h5-9,12H,4,10-11,13H2,1-3H3,(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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034980 (CHEMBL3338153) Show SMILES CCN(Cc1ccccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035081 (CHEMBL3338289) Show SMILES Cc1noc(C)c1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(C)nc12)C(F)(F)F Show InChI InChI=1S/C23H20F3N3O3/c1-12-4-7-20-22(27-12)19(10-29(20)11-21(30)31)17-6-5-16(23(24,25)26)8-15(17)9-18-13(2)28-32-14(18)3/h4-8,10H,9,11H2,1-3H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035085 (CHEMBL3338293) Show SMILES Cc1noc(C2CC2)c1Cc1cc(ccc1-c1cc(CC(O)=O)n2ccc(C)nc12)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O3/c1-13-7-8-31-18(12-22(32)33)11-21(24(31)29-13)19-6-5-17(25(26,27)28)9-16(19)10-20-14(2)30-34-23(20)15-3-4-15/h5-9,11,15H,3-4,10,12H2,1-2H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035080 (CHEMBL3338288) Show SMILES Cc1nnc(CCc2ccccc2)n1Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C28H26ClN5O2/c1-18-8-11-24-21(15-27(35)36)16-34(28(24)30-18)25-12-10-23(29)14-22(25)17-33-19(2)31-32-26(33)13-9-20-6-4-3-5-7-20/h3-8,10-12,14,16H,9,13,15,17H2,1-2H3,(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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035089 (CHEMBL3338297) Show SMILES Cc1noc(C2CC2)c1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F Show InChI InChI=1S/C25H22F3N3O3/c1-13-3-7-19-17(11-22(32)33)12-31(24(19)29-13)21-8-6-18(25(26,27)28)9-16(21)10-20-14(2)30-34-23(20)15-4-5-15/h3,6-9,12,15H,4-5,10-11H2,1-2H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034915 (CHEMBL3338132) Show SMILES COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CC(C)(C)NC(=O)c23)c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN2O6S/c1-15-20(24-21(29(15)14-23(30)31)13-26(2,3)28-25(24)32)12-16-11-18(35-4)7-10-22(16)36(33,34)19-8-5-17(27)6-9-19/h5-11H,12-14H2,1-4H3,(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035026 (CHEMBL3343124) Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)NCc1ccccc1 Show InChI InChI=1S/C28H27F3N4O3/c1-3-34(27(38)32-15-19-7-5-4-6-8-19)16-21-13-22(28(29,30)31)10-12-24(21)35-17-20(14-25(36)37)23-11-9-18(2)33-26(23)35/h4-13,17H,3,14-16H2,1-2H3,(H,32,38)(H,36,37)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034980 (CHEMBL3338153) Show SMILES CCN(Cc1ccccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C23H25N3O3/c1-3-25(23(29)16-9-10-16)13-17-6-4-5-7-20(17)26-14-18(12-21(27)28)19-11-8-15(2)24-22(19)26/h4-8,11,14,16H,3,9-10,12-13H2,1-2H3,(H,27,28)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034809 (CHEMBL3338090) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C23H22N2O5S/c1-15-18(22-19(11-12-24-23(22)28)25(15)14-21(26)27)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,24,28)(H,26,27)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034981 (CHEMBL3343107) Show SMILES CCN(Cc1cc(Cl)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C23H24ClN3O3/c1-3-26(23(30)15-5-6-15)12-17-10-18(24)7-9-20(17)27-13-16(11-21(28)29)19-8-4-14(2)25-22(19)27/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352577 (CHEMBL1825145 | US8772288, 29) Show SMILES CN1CCC2(CC1)C(=O)Nc1cc(ccc21)-c1cc(ccc1C)C(=O)NC1CC1 Show InChI InChI=1S/C24H27N3O2/c1-15-3-4-17(22(28)25-18-6-7-18)13-19(15)16-5-8-20-21(14-16)26-23(29)24(20)9-11-27(2)12-10-24/h3-5,8,13-14,18H,6-7,9-12H2,1-2H3,(H,25,28)(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034812 (CHEMBL3338130) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CC(C)(C)NC2=O)n1CC(O)=O Show InChI InChI=1S/C25H26N2O5S/c1-16-19(23-20(27(16)15-22(28)29)14-25(2,3)26-24(23)30)13-17-9-7-8-12-21(17)33(31,32)18-10-5-4-6-11-18/h4-12H,13-15H2,1-3H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 30 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM126001 (US8772288, 72) Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(F)(F)CC2)c1 Show InChI InChI=1S/C23H21F2N3O2/c1-13-3-4-16(20-28-27-14(2)30-20)11-17(13)15-5-6-18-19(12-15)26-21(29)22(18)7-9-23(24,25)10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352576 (CHEMBL1825156 | US8772288, 43) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)n1)C(=O)NC1CC1 Show InChI InChI=1S/C22H23N3O2/c1-13-4-5-14(20(26)23-15-6-7-15)12-16(13)18-9-8-17-19(24-18)25-21(27)22(17)10-2-3-11-22/h4-5,8-9,12,15H,2-3,6-7,10-11H2,1H3,(H,23,26)(H,24,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	5.60	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM126002 (US8772288, 73) Show SMILES Cc1nnc(o1)-c1ccc(C)c(c1)-c1ccc2c(NC(=O)C22CCC(O)CC2)c1 |(3.72,7.91,;2.95,6.58,;3.85,5.33,;2.95,4.09,;1.48,4.56,;1.48,6.1,;.15,3.79,;-1.18,4.56,;-2.52,3.79,;-2.52,2.25,;-3.85,1.48,;-1.18,1.48,;.15,2.25,;-1.18,-.06,;.15,-.83,;.15,-2.37,;-1.18,-3.14,;-2.52,-2.37,;-3.66,-3.4,;-3.04,-4.81,;-3.81,-6.14,;-1.51,-4.64,;-1.9,-6.13,;-.81,-7.22,;.67,-6.82,;1.76,-7.91,;1.07,-5.33,;-.02,-4.25,;-2.52,-.83,)| Show InChI InChI=1S/C23H23N3O3/c1-13-3-4-16(21-26-25-14(2)29-21)11-18(13)15-5-6-19-20(12-15)24-22(28)23(19)9-7-17(27)8-10-23/h3-6,11-12,17,27H,7-10H2,1-2H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034983 (CHEMBL3343109) Show SMILES CCN(Cc1cc(OC(F)(F)F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C24H24F3N3O4/c1-3-29(23(33)15-5-6-15)12-17-10-18(34-24(25,26)27)7-9-20(17)30-13-16(11-21(31)32)19-8-4-14(2)28-22(19)30/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(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	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034982 (CHEMBL3343108) Show SMILES CCN(Cc1cc(C)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C24H27N3O3/c1-4-26(24(30)17-7-8-17)13-19-11-15(2)5-10-21(19)27-14-18(12-22(28)29)20-9-6-16(3)25-23(20)27/h5-6,9-11,14,17H,4,7-8,12-13H2,1-3H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035024 (CHEMBL3343122) Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)Cc1ccccc1 Show InChI InChI=1S/C28H26F3N3O3/c1-3-33(25(35)13-19-7-5-4-6-8-19)16-21-14-22(28(29,30)31)10-12-24(21)34-17-20(15-26(36)37)23-11-9-18(2)32-27(23)34/h4-12,14,17H,3,13,15-16H2,1-2H3,(H,36,37)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034913 (CHEMBL3338129) Show SMILES CC(N1CCc2c(c(Cc3ccccc3S(=O)(=O)c3ccccc3)c(C)n2CC(O)=O)C1=O)C(F)(F)F Show InChI InChI=1S/C26H25F3N2O5S/c1-16-20(14-18-8-6-7-11-22(18)37(35,36)19-9-4-3-5-10-19)24-21(31(16)15-23(32)33)12-13-30(25(24)34)17(2)26(27,28)29/h3-11,17H,12-15H2,1-2H3,(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	6	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035092 (CHEMBL3338300) Show SMILES Cc1ccc2c(CC(O)=O)cn(-c3ccc(Cl)cc3Cc3c(noc3C3CC3)C3CC3)c2n1 Show InChI InChI=1S/C26H24ClN3O3/c1-14-2-8-20-18(12-23(31)32)13-30(26(20)28-14)22-9-7-19(27)10-17(22)11-21-24(15-3-4-15)29-33-25(21)16-5-6-16/h2,7-10,13,15-16H,3-6,11-12H2,1H3,(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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035037 (CHEMBL3338268) Show SMILES Cc1cnn(C)c1Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12 Show InChI InChI=1S/C22H21FN4O2/c1-13-11-24-26(3)20(13)9-15-8-17(23)5-7-19(15)27-12-16(10-21(28)29)18-6-4-14(2)25-22(18)27/h4-8,11-12H,9-10H2,1-3H3,(H,28,29)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035153 (CHEMBL3338302) Show SMILES Cc1noc(C)c1-c1cccc(c1)-c1c(C)n(CC(O)=O)c2ccc(F)cc12 Show InChI InChI=1S/C22H19FN2O3/c1-12-21(14(3)28-24-12)15-5-4-6-16(9-15)22-13(2)25(11-20(26)27)19-8-7-17(23)10-18(19)22/h4-10H,11H2,1-3H3,(H,26,27)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035077 (CHEMBL3338285) Show SMILES Cc1nnc(C2CC2)n1Cc1cc(ccc1-c1cn(CC(O)=O)c2ccc(F)cc12)C(F)(F)F Show InChI InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)32(13)10-15-8-16(24(26,27)28)4-6-18(15)20-11-31(12-22(33)34)21-7-5-17(25)9-19(20)21/h4-9,11,14H,2-3,10,12H2,1H3,(H,33,34)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034881 (CHEMBL3338102) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(F)c2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C23H21FN2O5S/c1-14-18(22-19(9-10-25-23(22)29)26(14)13-21(27)28)11-15-5-2-3-8-20(15)32(30,31)17-7-4-6-16(24)12-17/h2-8,12H,9-11,13H2,1H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50348313 (CHEMBL1800221 | US8772288, 11) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCCC2)c1)C(=O)Nc1ccccn1 Show InChI InChI=1S/C25H23N3O2/c1-16-7-8-18(23(29)28-22-6-2-5-13-26-22)14-19(16)17-9-10-20-21(15-17)27-24(30)25(20)11-3-4-12-25/h2,5-10,13-15H,3-4,11-12H2,1H3,(H,27,30)(H,26,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034812 (CHEMBL3338130) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CC(C)(C)NC2=O)n1CC(O)=O Show InChI InChI=1S/C25H26N2O5S/c1-16-19(23-20(27(16)15-22(28)29)14-25(2,3)26-24(23)30)13-17-9-7-8-12-21(17)33(31,32)18-10-5-4-6-11-18/h4-12H,13-15H2,1-3H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 15 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034959 (CHEMBL3342993) Show SMILES CCN(Cc1cc(ccc1-c1nn(CC(O)=O)c2cccc(Cl)c12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C23H21ClF3N3O3/c1-2-29(22(33)13-6-7-13)11-14-10-15(23(25,26)27)8-9-16(14)21-20-17(24)4-3-5-18(20)30(28-21)12-19(31)32/h3-5,8-10,13H,2,6-7,11-12H2,1H3,(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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034979 (CHEMBL3343106) Show SMILES CCN(Cc1cc(F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C23H24FN3O3/c1-3-26(23(30)15-5-6-15)12-17-10-18(24)7-9-20(17)27-13-16(11-21(28)29)19-8-4-14(2)25-22(19)27/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034809 (CHEMBL3338090) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C23H22N2O5S/c1-15-18(22-19(11-12-24-23(22)28)25(15)14-21(26)27)13-16-7-5-6-10-20(16)31(29,30)17-8-3-2-4-9-17/h2-10H,11-14H2,1H3,(H,24,28)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in CHO.K1 cells co-mixing the compound and PGD2 by radio-labelled [35S]-GTPgammaS bind...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034888 (CHEMBL3338108) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2c(CCNC2=O)n1CC(O)=O Show InChI InChI=1S/C24H21F3N2O6S/c1-14-18(22-19(10-11-28-23(22)32)29(14)13-21(30)31)12-15-4-2-3-5-20(15)36(33,34)17-8-6-16(7-9-17)35-24(25,26)27/h2-9H,10-13H2,1H3,(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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 1 hr by radio-labelled [35S]-GTPgamma...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50352579 (CHEMBL1825150 | US8772288, 27) Show SMILES Cc1ccc(cc1-c1ccc2c(NC(=O)C22CCS(=O)(=O)CC2)c1)C(=O)NC1CC1 Show InChI InChI=1S/C23H24N2O4S/c1-14-2-3-16(21(26)24-17-5-6-17)12-18(14)15-4-7-19-20(13-15)25-22(27)23(19)8-10-30(28,29)11-9-23/h2-4,7,12-13,17H,5-6,8-11H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	7.5	25
Almirall, S.A. US Patent					Assay Description Enzymatic activity assay was performed in 96-well microtiter plates (Corning, catalog number #3686) using a total volume of 50 ul of an assay buffer ...				US Patent US8772288 (2014) BindingDB Entry DOI: 10.7270/Q2T152BM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034983 (CHEMBL3343109) Show SMILES CCN(Cc1cc(OC(F)(F)F)ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(=O)C1CC1 Show InChI InChI=1S/C24H24F3N3O4/c1-3-29(23(33)15-5-6-15)12-17-10-18(34-24(25,26)27)7-9-20(17)30-13-16(11-21(31)32)19-8-4-14(2)28-22(19)30/h4,7-10,13,15H,3,5-6,11-12H2,1-2H3,(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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change preincubated for 10 mins wi...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034810 (CHEMBL3338109) Show SMILES COc1ccc(c(Cc2c(C)n(CC(O)=O)c3CCNC(=O)c23)c1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C24H23FN2O6S/c1-14-19(23-20(9-10-26-24(23)30)27(14)13-22(28)29)12-15-11-17(33-2)5-8-21(15)34(31,32)18-6-3-16(25)4-7-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,26,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 (unknown origin) stably expressed in PGD2-stimulated CHO.K1 cells preincubated for 15 mins by radio-labelled [35S]-GTPga...				Bioorg Med Chem Lett 24: 5111-7 (2014) Article DOI: 10.1016/j.bmcl.2014.08.026 BindingDB Entry DOI: 10.7270/Q2N01840
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035078 (CHEMBL3338286) Show SMILES Cc1nnc(C2CC2)n1Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(F)cc12)C(F)(F)F Show InChI InChI=1S/C24H20F4N4O2/c1-13-29-30-23(14-2-3-14)31(13)12-16-8-17(24(26,27)28)4-7-20(16)32-11-15(9-22(33)34)19-6-5-18(25)10-21(19)32/h4-8,10-11,14H,2-3,9,12H2,1H3,(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change after 10 mins by fluorescen...				Bioorg Med Chem Lett 24: 5127-33 (2014) Article DOI: 10.1016/j.bmcl.2014.08.028 BindingDB Entry DOI: 10.7270/Q27P911Z
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50034995 (CHEMBL3343117) Show SMILES CCN(Cc1cc(ccc1-c1cc(CC(O)=O)n2ccc(C)nc12)C(F)(F)F)C(=O)C1CC1 Show InChI InChI=1S/C24H24F3N3O3/c1-3-29(23(33)15-4-5-15)13-16-10-17(24(25,26)27)6-7-19(16)20-11-18(12-21(31)32)30-9-8-14(2)28-22(20)30/h6-11,15H,3-5,12-13H2,1-2H3,(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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50035022 (CHEMBL3343120) Show SMILES CCN(Cc1cc(ccc1-n1cc(CC(O)=O)c2ccc(C)nc12)C(F)(F)F)C(=O)CC1CC1 Show InChI InChI=1S/C25H26F3N3O3/c1-3-30(22(32)10-16-5-6-16)13-18-11-19(25(26,27)28)7-9-21(18)31-14-17(12-23(33)34)20-8-4-15(2)29-24(20)31/h4,7-9,11,14,16H,3,5-6,10,12-13H2,1-2H3,(H,33,34)	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
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding measur...				Bioorg Med Chem Lett 24: 5123-6 (2014) Article DOI: 10.1016/j.bmcl.2014.08.029 BindingDB Entry DOI: 10.7270/Q2CF9RRW
					More data for this Ligand-Target Pair

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