Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401098'   

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))	BDBM50401098 (CHEMBL2205158) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CCC(O)=O |(22.19,-53.06,;20.65,-53.06,;19.74,-51.8,;20.51,-50.48,;22.05,-50.48,;22.83,-49.16,;24.37,-49.16,;25.13,-50.5,;24.35,-51.82,;25.11,-53.16,;26.65,-53.16,;27.43,-51.82,;26.66,-50.49,;22.06,-47.82,;22.84,-46.49,;20.52,-47.81,;19.75,-46.48,;18.2,-46.48,;17.43,-47.83,;18.2,-49.16,;19.74,-49.15,;18.26,-52.28,;16.93,-51.52,;15.6,-52.29,;15.59,-53.83,;16.93,-54.6,;18.26,-53.83,;19.74,-54.31,;20.21,-55.78,;19.18,-56.92,;17.68,-56.6,;17.19,-55.14,;16.64,-57.75,)| Show InChI InChI=1S/C27H23N3O3/c1-18-25(22-13-7-8-14-23(22)29(18)16-15-24(31)32)26-20-11-5-6-12-21(20)27(33)30(28-26)17-19-9-3-2-4-10-19/h2-14H,15-17H2,1H3,(H,31,32)	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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