Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128356'   

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))	BDBM128356 (US8796280, 46) Show SMILES Cc1cc2cc(Cl)ccc2n1Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C27H22ClF3N4O2S/c1-17-14-20-15-21(28)10-11-23(20)35(17)16-18-6-8-19(9-7-18)25-26(33-13-12-32-25)34-38(36,37)24-5-3-2-4-22(24)27(29,30)31/h2-15,38H,16H2,1H3,(H2,33,34,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.65E+3	-30.4	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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