Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401100'   

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))	BDBM50401100 (CHEMBL2205156) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CCO |(39.21,-35.7,;37.67,-35.7,;36.75,-34.45,;37.53,-33.12,;39.07,-33.13,;39.84,-31.8,;41.38,-31.81,;42.15,-33.15,;41.37,-34.47,;42.13,-35.8,;43.67,-35.81,;44.44,-34.47,;43.68,-33.14,;39.08,-30.47,;39.85,-29.14,;37.54,-30.46,;36.76,-29.13,;35.22,-29.13,;34.45,-30.48,;35.22,-31.81,;36.76,-31.8,;35.28,-34.93,;33.94,-34.17,;32.62,-34.94,;32.61,-36.48,;33.95,-37.25,;35.28,-36.48,;36.75,-36.96,;37.23,-38.42,;36.2,-39.57,;34.69,-39.25,)| Show InChI InChI=1S/C26H23N3O2/c1-18-24(22-13-7-8-14-23(22)28(18)15-16-30)25-20-11-5-6-12-21(20)26(31)29(27-25)17-19-9-3-2-4-10-19/h2-14,30H,15-17H2,1H3	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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