Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50296858'   

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))	BDBM50296858 (2-(1-(4-chloro-3-(trifluoromethyl)phenylsulfonyl)-...) Show SMILES Cc1c(CC(O)=O)c2cccnc2n1S(=O)(=O)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C17H12ClF3N2O4S/c1-9-12(8-15(24)25)11-3-2-6-22-16(11)23(9)28(26,27)10-4-5-14(18)13(7-10)17(19,20)21/h2-7H,8H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes of Biomedical Research Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in CHO cells				Bioorg Med Chem Lett 19: 4794-8 (2009) Article DOI: 10.1016/j.bmcl.2009.06.042 BindingDB Entry DOI: 10.7270/Q2BK1CCF
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