Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM21556'   

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))	BDBM21556 (4-[5-fluoro-1'-(prop-2-en-1-yl)-1,2-dihydrospiro[i...) Show SMILES OC(=O)CCCN1C(=O)C2(CC(=O)N(CC=C)C2=O)c2cc(F)ccc12 Show InChI InChI=1S/C18H17FN2O5/c1-2-7-21-14(22)10-18(17(21)26)12-9-11(19)5-6-13(12)20(16(18)25)8-3-4-15(23)24/h2,5-6,9H,1,3-4,7-8,10H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.13E+3	-30.4	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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