Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50333503'   

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))	BDBM50333503 ((R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay				Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333503 ((R)-2-(8-(4-(4-fluorophenyl)-N-methyltetrahydro-2H...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCOCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C26H28FN3O4/c1-29(25(33)26(10-13-34-14-11-26)17-4-6-18(27)7-5-17)19-8-9-22-21(15-23(31)32)20-3-2-12-28-24(20)30(22)16-19/h2-7,12,19H,8-11,13-16H2,1H3,(H,31,32)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 expressed in HEK293 cells assessed as inhibition of forskolin-induced increase intracellular [125I]cAMP level by s...				Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP
					More data for this Ligand-Target Pair