Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50444221'   

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))	BDBM50444221 (CHEMBL3093609) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccnn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-20(29)12-15-13-24-21(18-5-2-1-4-17(15)18)22(30)14-7-9-16(10-8-14)26-23(31)19-6-3-11-25-27-19/h1-11,13H,12H2,(H,26,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	322	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 transfected in CHO cells by liquid scintillation counting analysis				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
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Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50444221 (CHEMBL3093609) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NC(=O)c3cccnn3)cc2)c2ccccc12 Show InChI InChI=1S/C23H16N4O4/c28-20(29)12-15-13-24-21(18-5-2-1-4-17(15)18)22(30)14-7-9-16(10-8-14)26-23(31)19-6-3-11-25-27-19/h1-11,13H,12H2,(H,26,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 transfected in human KB8 cells assessed as inhibition of PGD2-induced increase in intracellular Ca2+ by fluo-4AM d...				Bioorg Med Chem 21: 7674-85 (2013) Article DOI: 10.1016/j.bmc.2013.10.025 BindingDB Entry DOI: 10.7270/Q2542Q2W
					More data for this Ligand-Target Pair