Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128329'   

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))	BDBM128329 (US8796280, 19) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(cc1)C#N Show InChI InChI=1S/C26H22F3N5O2S/c1-34(21-12-8-18(16-30)9-13-21)17-19-6-10-20(11-7-19)24-25(32-15-14-31-24)33-37(35,36)23-5-3-2-4-22(23)26(27,28)29/h2-15,37H,17H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	470	-36.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Serono, S.A. US Patent					Assay Description The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligan...				US Patent US8796280 (2014) BindingDB Entry DOI: 10.7270/Q2RV0MCF
					More data for this Ligand-Target Pair