Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50360676'   

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))	BDBM50360676 (CHEMBL1933914) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(c1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-21-11-5-17(15-25(30)31)14-23(21)35-2)24(16-18)37(33,34)29-20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	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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