Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401105'   

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))	BDBM50401105 (CHEMBL2205151) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(N)=O |(7.37,-22.45,;5.83,-22.45,;4.92,-21.19,;5.69,-19.87,;7.23,-19.88,;8.01,-18.55,;9.55,-18.55,;10.31,-19.89,;9.53,-21.21,;10.29,-22.55,;11.83,-22.56,;12.61,-21.22,;11.84,-19.89,;7.24,-17.21,;8.02,-15.88,;5.7,-17.21,;4.93,-15.87,;3.38,-15.87,;2.61,-17.22,;3.39,-18.55,;4.93,-18.55,;3.45,-21.67,;2.11,-20.91,;.78,-21.68,;.78,-23.22,;2.11,-23.99,;3.45,-23.22,;4.92,-23.7,;5.4,-25.17,;4.37,-26.31,;2.86,-25.99,;4.84,-27.78,)| Show InChI InChI=1S/C26H22N4O2/c1-17-24(21-13-7-8-14-22(21)29(17)16-23(27)31)25-19-11-5-6-12-20(19)26(32)30(28-25)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H2,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in CHO-K1 cells after 30 min by FRET method				J Med Chem 55: 5088-109 (2012) Article DOI: 10.1021/jm300007n BindingDB Entry DOI: 10.7270/Q2S75HH0
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