Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50302804'   

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))	BDBM50302804 (2-(3-chloro-5-(2-(3-chloro-4-methylphenylsulfonami...) Show SMILES CCNC(=O)c1ccc(Oc2cc(Cl)cc(CC(O)=O)c2)c(NS(=O)(=O)c2ccc(C)c(Cl)c2)c1 Show InChI InChI=1S/C24H22Cl2N2O6S/c1-3-27-24(31)16-5-7-22(34-18-9-15(10-23(29)30)8-17(25)12-18)21(11-16)28-35(32,33)19-6-4-14(2)20(26)13-19/h4-9,11-13,28H,3,10H2,1-2H3,(H,27,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 expressed in HEK 293 cells in presence of 0.5% BSA by scintillation counting				Bioorg Med Chem Lett 19: 6419-23 (2009) Article DOI: 10.1016/j.bmcl.2009.09.052 BindingDB Entry DOI: 10.7270/Q25Q4X20
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