Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50435091'   

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))	BDBM50435091 (CHEMBL2391524) Show SMILES CN(C(=O)C(=C\c1cn(CC(O)=O)c2cccc(Cl)c12)\C#N)c1ccccc1 Show InChI InChI=1S/C21H16ClN3O3/c1-24(16-6-3-2-4-7-16)21(28)14(11-23)10-15-12-25(13-19(26)27)18-9-5-8-17(22)20(15)18/h2-10,12H,13H2,1H3,(H,26,27)/b14-10+	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
Actelion Pharmaceuticals Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor				Bioorg Med Chem Lett 23: 944-8 (2013) Article DOI: 10.1016/j.bmcl.2012.12.050 BindingDB Entry DOI: 10.7270/Q22F7PTD
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