Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50356751'   

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))	BDBM50356751 (CHEMBL1917804) Show SMILES CCCS(=O)(=O)c1ccc(C)c(c1)C#Cc1cc(Cl)ccc1OC(C)C(O)=O Show InChI InChI=1S/C21H21ClO5S/c1-4-11-28(25,26)19-9-5-14(2)16(13-19)6-7-17-12-18(22)8-10-20(17)27-15(3)21(23)24/h5,8-10,12-13,15H,4,11H2,1-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Serono S.A. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 expressed in chinese hamster CHO cells by liquid scintillation counting				J Med Chem 54: 7299-317 (2011) Article DOI: 10.1021/jm200866y BindingDB Entry DOI: 10.7270/Q2N58MS1
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