Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128323'   

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))	BDBM128323 (US8796280, 12) Show SMILES CN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1cccs1)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H19ClN4O2S2/c1-27(19-10-8-18(23)9-11-19)15-16-4-6-17(7-5-16)21-22(25-13-12-24-21)26-31(28,29)20-3-2-14-30-20/h2-14H,15H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.43E+3	-29.0	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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