Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM124825'   

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))	BDBM124825 (US8759386, 22) Show SMILES CCc1nn(Cc2ccc(NC(=O)c3cc4ccccc4n3CC)cc2)c(CC)c1CC(O)=O Show InChI InChI=1S/C27H30N4O3/c1-4-22-21(16-26(32)33)23(5-2)31(29-22)17-18-11-13-20(14-12-18)28-27(34)25-15-19-9-7-8-10-24(19)30(25)6-3/h7-15H,4-6,16-17H2,1-3H3,(H,28,34)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.200	-55.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000...				US Patent US8759386 (2014) BindingDB Entry DOI: 10.7270/Q2S46QM5
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