Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50360666'   

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))	BDBM50360666 (CHEMBL1933761) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(cc2OC)C2(CC2)C(O)=O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C28H28Cl2N2O7S/c1-3-4-13-31-26(33)17-5-8-22(21(14-17)32-40(36,37)25-10-7-19(29)16-20(25)30)39-23-9-6-18(15-24(23)38-2)28(11-12-28)27(34)35/h5-10,14-16,32H,3-4,11-13H2,1-2H3,(H,31,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA				Bioorg Med Chem Lett 22: 367-70 (2011) Article DOI: 10.1016/j.bmcl.2011.10.123 BindingDB Entry DOI: 10.7270/Q2057GB8
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