Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM197003'   

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))	BDBM197003 (US9206164, 67) Show SMILES CCc1nn(Cc2ccc(cc2)-c2nc3c(F)cccc3[nH]2)c(CC)c1CC(O)=O Show InChI InChI=1S/C23H23FN4O2/c1-3-18-16(12-21(29)30)20(4-2)28(27-18)13-14-8-10-15(11-9-14)23-25-19-7-5-6-17(24)22(19)26-23/h5-11H,3-4,12-13H2,1-2H3,(H,25,26)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
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 US9206164 (2015) BindingDB Entry DOI: 10.7270/Q2PR7TS9
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