Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128334'   

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))	BDBM128334 (US8796280, 24) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc(Cl)nc2)cc1 Show InChI InChI=1S/C23H18ClF3N4O3S/c24-20-10-9-17(13-30-20)34-14-15-5-7-16(8-6-15)21-22(29-12-11-28-21)31-35(32,33)19-4-2-1-3-18(19)23(25,26)27/h1-13,35H,14H2,(H2,29,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	720	-35.1	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
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