Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128350'   

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))	BDBM128350 (US8796280, 40) Show SMILES Cc1cc2ccccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H23F3N4O2S/c1-18-16-21-6-2-4-8-23(21)34(18)17-19-10-12-20(13-11-19)25-26(32-15-14-31-25)33-37(35,36)24-9-5-3-7-22(24)27(28,29)30/h2-16,37H,17H2,1H3,(H2,32,33,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.06E+3	-31.5	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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