Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50333493'   

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))	BDBM50333493 ((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-20(25)26)16-8-9-22-11-19(16)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay				Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50333493 ((R)-2-(8-(4-fluoro-N-methylphenylsulfonamido)-6,7,...) Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccncc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-20(25)26)16-8-9-22-11-19(16)24(18)12-14/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	351	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Centre for Therapeutic Research Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 expressed in HEK293 cells assessed as inhibition of forskolin-induced increase intracellular [125I]cAMP level by s...				Bioorg Med Chem Lett 21: 841-5 (2011) Article DOI: 10.1016/j.bmcl.2010.11.084 BindingDB Entry DOI: 10.7270/Q24J0FCP
					More data for this Ligand-Target Pair