Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401106'   

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))	BDBM50401106 (CHEMBL2205150) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(O)=O |(37.95,-7.39,;36.41,-7.39,;35.5,-6.14,;36.27,-4.81,;37.81,-4.82,;38.59,-3.49,;40.13,-3.5,;40.89,-4.83,;40.11,-6.16,;40.87,-7.49,;42.41,-7.5,;43.19,-6.16,;42.42,-4.83,;37.82,-2.15,;38.6,-.82,;36.28,-2.15,;35.51,-.81,;33.96,-.81,;33.19,-2.16,;33.97,-3.49,;35.51,-3.49,;34.03,-6.62,;32.69,-5.85,;31.36,-6.62,;31.36,-8.17,;32.69,-8.94,;34.03,-8.17,;35.5,-8.65,;35.98,-10.11,;34.95,-11.25,;33.44,-10.94,;35.42,-12.72,)| Show InChI InChI=1S/C26H21N3O3/c1-17-24(21-13-7-8-14-22(21)28(17)16-23(30)31)25-19-11-5-6-12-20(19)26(32)29(27-25)15-18-9-3-2-4-10-18/h2-14H,15-16H2,1H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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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