Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128337'   

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))	BDBM128337 (US8796280, 27) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccccc2)cc1 Show InChI InChI=1S/C24H20F3N3O3S/c25-24(26,27)20-8-4-5-9-21(20)34(31,32)30-23-22(28-14-15-29-23)18-12-10-17(11-13-18)16-33-19-6-2-1-3-7-19/h1-15,34H,16H2,(H2,29,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.32E+3	-33.6	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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