Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50302833'   

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))	BDBM50302833 (2-(4-(4-(cyclobutylcarbamoyl)-2-(2,4-dichloropheny...) Show SMILES COc1cc(CC(O)=O)ccc1Oc1ccc(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)NC1CCC1 Show InChI InChI=1S/C26H24Cl2N2O7S/c1-36-23-11-15(12-25(31)32)5-8-22(23)37-21-9-6-16(26(33)29-18-3-2-4-18)13-20(21)30-38(34,35)24-10-7-17(27)14-19(24)28/h5-11,13-14,18,30H,2-4,12H2,1H3,(H,29,33)(H,31,32)	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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