Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50333498'   

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))	BDBM50333498 (2-((R)-8-((S)-2-(4-fluorophenyl)-N-methylpropanami...) Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	21	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))	BDBM50333498 (2-((R)-8-((S)-2-(4-fluorophenyl)-N-methylpropanami...) Show SMILES C[C@H](C(=O)N(C)[C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C23H24FN3O3/c1-14(15-5-7-16(24)8-6-15)23(30)26(2)17-9-10-20-19(12-21(28)29)18-4-3-11-25-22(18)27(20)13-17/h3-8,11,14,17H,9-10,12-13H2,1-2H3,(H,28,29)/t14-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	74	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