Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128322'   

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))	BDBM128322 (US8796280, 11) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1cccc(Cl)c1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C25H20ClF3N4O3S/c1-33(20-9-11-21(12-10-20)36-25(27,28)29)16-17-5-7-18(8-6-17)23-24(31-14-13-30-23)32-37(34,35)22-4-2-3-19(26)15-22/h2-15H,16H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.16E+3	-30.2	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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