Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128355'   

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))	BDBM128355 (US8796280, 45) Show SMILES CCN(Cc1ccc(cc1)-c1nccnc1NS(=O)(=O)c1ccccc1Cl)c1ccccn1 Show InChI InChI=1S/C24H22ClN5O2S/c1-2-30(22-9-5-6-14-26-22)17-18-10-12-19(13-11-18)23-24(28-16-15-27-23)29-33(31,32)21-8-4-3-7-20(21)25/h3-16H,2,17H2,1H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.51E+3	-30.5	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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