Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128339'   

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))	BDBM128339 (US8796280, 29) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccc(cc1)C#N Show InChI InChI=1S/C25H22ClN5O2S/c1-31(21-12-8-18(16-27)9-13-21)17-19-6-10-20(11-7-19)24-25(29-15-14-28-24)30-34(32,33)23-5-3-2-4-22(23)26/h2-15,34H,17H2,1H3,(H2,29,30,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.49E+3	-33.3	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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