Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM128345'   

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))	BDBM128345 (US8796280, 35) Show SMILES Clc1ccccc1S(=O)(=O)Nc1nccnc1-c1ccc(CN(Cc2ccccc2)c2ccccn2)cc1 Show InChI InChI=1S/C29H26ClN5O2S/c30-25-10-4-5-11-26(25)38(36,37)34-29-28(32-18-19-33-29)24-15-13-23(14-16-24)21-35(27-12-6-7-17-31-27)20-22-8-2-1-3-9-22/h1-19,38H,20-21H2,(H2,33,34,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.64E+3	-31.8	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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