Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128342'   

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))	BDBM128342 (US8796280, 32) Show SMILES Fc1ccc2ccn(Cc3ccc(cc3)-c3nccnc3NS(=O)(=O)c3ccccc3C(F)(F)F)c2c1 Show InChI InChI=1S/C26H20F4N4O2S/c27-20-10-9-18-11-14-34(22(18)15-20)16-17-5-7-19(8-6-17)24-25(32-13-12-31-24)33-37(35,36)23-4-2-1-3-21(23)26(28,29)30/h1-15,37H,16H2,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.93E+3	-32.6	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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