Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50302800'   

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))	BDBM50302800 (2-(3-chloro-5-(4-(ethylcarbamoyl)-2-(phenylsulfona...) Show SMILES CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(O)=O)c2)c(NS(=O)(=O)c2ccccc2)c1 Show InChI InChI=1S/C23H21ClN2O6S/c1-2-25-23(29)16-8-9-21(32-18-11-15(12-22(27)28)10-17(24)14-18)20(13-16)26-33(30,31)19-6-4-3-5-7-19/h3-11,13-14,26H,2,12H2,1H3,(H,25,29)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	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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