Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50344177'   

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))	BDBM50344177 ((R)-2-(7-(2-(4-fluoro-3-(trifluoromethyl)phenyl)-N...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C24H22F4N2O3/c1-29(22(31)11-14-6-8-19(25)18(10-14)24(26,27)28)15-7-9-21-17(12-23(32)33)16-4-2-3-5-20(16)30(21)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,32,33)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	126	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
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