Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50302808'   

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))	BDBM50302808 (2-(3-(4-(ethylcarbamoyl)-2-(4-methylphenylsulfonam...) Show SMILES CCNC(=O)c1ccc(Oc2cccc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(C)cc2)c1 Show InChI InChI=1S/C24H24N2O6S/c1-3-25-24(29)18-9-12-22(32-19-6-4-5-17(13-19)14-23(27)28)21(15-18)26-33(30,31)20-10-7-16(2)8-11-20/h4-13,15,26H,3,14H2,1-2H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	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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