Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50302805'   

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))	BDBM50302805 (2-(3-chloro-5-(2-(2-chloro-4-(trifluoromethyl)phen...) Show SMILES CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(cc2Cl)C(F)(F)F)c1 Show InChI InChI=1S/C24H19Cl2F3N2O6S/c1-2-30-23(34)14-3-5-20(37-17-8-13(9-22(32)33)7-16(25)12-17)19(10-14)31-38(35,36)21-6-4-15(11-18(21)26)24(27,28)29/h3-8,10-12,31H,2,9H2,1H3,(H,30,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK 293 cells in presence of 0.5% BSA by scintillation counting				Bioorg Med Chem Lett 19: 6419-23 (2009) Article DOI: 10.1016/j.bmcl.2009.09.052 BindingDB Entry DOI: 10.7270/Q25Q4X20
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