Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128332'   

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))	BDBM128332 (US8796280, 22) Show SMILES FC(F)(F)c1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN2CCOc3ccccc23)cc1 Show InChI InChI=1S/C26H23F3N4O3S/c27-26(28,29)20-5-1-4-8-23(20)37(34,35)32-25-24(30-13-14-31-25)19-11-9-18(10-12-19)17-33-15-16-36-22-7-3-2-6-21(22)33/h1-14,37H,15-17H2,(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	620	-35.4	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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