Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50344979'   

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))	BDBM50344979 (2-(4'-(ethylsulfonyl)-2'-methyl-5-(trifluoromethyl...) Show SMILES CCS(=O)(=O)c1ccc(c(C)c1)-c1cc(ccc1OC(C)(C)C(O)=O)C(F)(F)F Show InChI InChI=1S/C20H21F3O5S/c1-5-29(26,27)14-7-8-15(12(2)10-14)16-11-13(20(21,22)23)6-9-17(16)28-19(3,4)18(24)25/h6-11H,5H2,1-4H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from CRTh2 receptor by scintillation proximity assay				Bioorg Med Chem Lett 21: 3616-21 (2011) Article DOI: 10.1016/j.bmcl.2011.04.101 BindingDB Entry DOI: 10.7270/Q2S46S9Z
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