Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50401104'   

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))	BDBM50401104 (CHEMBL2205152) Show SMILES CN(C)C(=O)Cn1c(C)c(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)c2ccccc12 |(15.98,-25.02,;16.46,-26.48,;15.43,-27.63,;17.97,-26.8,;18.44,-28.27,;19,-25.65,;18.52,-24.19,;19.43,-22.93,;20.97,-22.93,;18.52,-21.68,;19.29,-20.35,;20.83,-20.36,;21.61,-19.03,;23.15,-19.04,;23.91,-20.38,;23.13,-21.7,;23.89,-23.03,;25.43,-23.04,;26.21,-21.7,;25.44,-20.37,;20.84,-17.7,;21.62,-16.37,;19.3,-17.69,;18.53,-16.35,;16.98,-16.36,;16.21,-17.71,;16.99,-19.04,;18.53,-19.03,;17.04,-22.16,;15.71,-21.4,;14.38,-22.17,;14.38,-23.71,;15.71,-24.48,;17.04,-23.71,)| Show InChI InChI=1S/C28H26N4O2/c1-19-26(23-15-9-10-16-24(23)31(19)18-25(33)30(2)3)27-21-13-7-8-14-22(21)28(34)32(29-27)17-20-11-5-4-6-12-20/h4-16H,17-18H2,1-3H3	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
					More data for this Ligand-Target Pair