Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50344162'   

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))	BDBM50344162 ((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopentanec...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H29FN2O3/c1-29(26(33)27(14-4-5-15-27)18-8-10-19(28)11-9-18)20-12-13-24-22(16-25(31)32)21-6-2-3-7-23(21)30(24)17-20/h2-3,6-11,20H,4-5,12-17H2,1H3,(H,31,32)/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Curated by ChEMBL					Assay Description Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay				Bioorg Med Chem Lett 21: 3471-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.085 BindingDB Entry DOI: 10.7270/Q2T72HSR
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50344162 ((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclopentanec...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C27H29FN2O3/c1-29(26(33)27(14-4-5-15-27)18-8-10-19(28)11-9-18)20-12-13-24-22(16-25(31)32)21-6-2-3-7-23(21)30(24)17-20/h2-3,6-11,20H,4-5,12-17H2,1H3,(H,31,32)/t20-/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	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...				Bioorg Med Chem Lett 21: 3471-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.085 BindingDB Entry DOI: 10.7270/Q2T72HSR
					More data for this Ligand-Target Pair