Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor' and Ligand = 'BDBM50417764'   

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 (Homo sapiens (Human))	BDBM50417764 (CHEMBL1644227) Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)-c2nnn[nH]2)cc1 Show InChI InChI=1S/C21H21N7O2/c1-29-17-8-6-14(7-9-17)10-11-22-19-13-18(23-21(24-19)30-2)15-4-3-5-16(12-15)20-25-27-28-26-20/h3-9,12-13H,10-11H2,1-2H3,(H,22,23,24)(H,25,26,27,28)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.398	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Aventis US Curated by ChEMBL					Assay Description Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...				Bioorg Med Chem Lett 21: 66-75 (2010) Article DOI: 10.1016/j.bmcl.2010.11.071 BindingDB Entry DOI: 10.7270/Q22F7PPM
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