Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50344180'   

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))	BDBM50344180 ((R)-2-(7-(2-(4-methoxyphenyl)-N-methylacetamido)-6...) Show SMILES COc1ccc(CC(=O)N(C)[C@@H]2CCc3c(CC(O)=O)c4ccccc4n3C2)cc1 |r| Show InChI InChI=1S/C24H26N2O4/c1-25(23(27)13-16-7-10-18(30-2)11-8-16)17-9-12-22-20(14-24(28)29)19-5-3-4-6-21(19)26(22)15-17/h3-8,10-11,17H,9,12-15H2,1-2H3,(H,28,29)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Curated by ChEMBL					Assay Description Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay				Bioorg Med Chem Lett 21: 3471-4 (2011) Article DOI: 10.1016/j.bmcl.2011.03.085 BindingDB Entry DOI: 10.7270/Q2T72HSR
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