Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128318'   

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))	BDBM128318 (US8796280, 7) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(COc2ccc3CCCCc3c2)cc1 Show InChI InChI=1S/C27H24ClN3O3S/c28-24-7-3-4-8-25(24)35(32,33)31-27-26(29-15-16-30-27)21-11-9-19(10-12-21)18-34-23-14-13-20-5-1-2-6-22(20)17-23/h3-4,7-17H,1-2,5-6,18H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.59E+3	-31.9	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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