Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401102'   

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))	BDBM50401102 (CHEMBL2205154) Show SMILES Cc1c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc2n1CC(=O)NS(C)(=O)=O |(10,-36.32,;8.46,-36.32,;7.55,-35.06,;8.32,-33.74,;9.87,-33.75,;10.64,-32.42,;12.18,-32.42,;12.94,-33.76,;12.16,-35.08,;12.93,-36.42,;14.47,-36.43,;15.24,-35.09,;14.48,-33.76,;9.88,-31.08,;10.65,-29.75,;8.33,-31.07,;7.56,-29.74,;6.01,-29.74,;5.24,-31.09,;6.02,-32.42,;7.56,-32.41,;6.08,-35.54,;4.74,-34.78,;3.41,-35.55,;3.41,-37.09,;4.74,-37.86,;6.08,-37.09,;7.55,-37.57,;8.03,-39.04,;7,-40.18,;7.47,-41.65,;5.49,-39.87,;4.46,-41.01,;2.95,-40.7,;5.79,-41.78,;4.45,-42.55,)| Show InChI InChI=1S/C27H24N4O4S/c1-18-25(22-14-8-9-15-23(22)30(18)17-24(32)29-36(2,34)35)26-20-12-6-7-13-21(20)27(33)31(28-26)16-19-10-4-3-5-11-19/h3-15H,16-17H2,1-2H3,(H,29,32)	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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