Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM21545'   

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))	BDBM21545 (2-{1'-benzyl-5-fluoro-1,2-dihydrospiro[indole-3,3'...) Show SMILES OC(=O)CN1C(=O)C2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(F)ccc12 Show InChI InChI=1S/C20H15FN2O5/c21-13-6-7-15-14(8-13)20(18(27)22(15)11-17(25)26)9-16(24)23(19(20)28)10-12-4-2-1-3-5-12/h1-8H,9-11H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	712	-34.7	n/a	n/a	n/a	n/a	n/a	7.4	22
Merck Serono					Assay Description A scintillation proximity assay was used for radioligand competition and saturation binding assays. Nonspecific binding was determined in the presenc...				J Med Chem 51: 2227-2243 (2008) Article DOI: 10.1021/jm701383e BindingDB Entry DOI: 10.7270/Q22R3PZS
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