Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50444238'   

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))	BDBM50444238 (CHEMBL3093598) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C27H23N3O4/c1-30(2)21-13-9-18(10-14-21)27(34)29-20-11-7-17(8-12-20)26(33)25-23-6-4-3-5-22(23)19(16-28-25)15-24(31)32/h3-14,16H,15H2,1-2H3,(H,29,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	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))	BDBM50444238 (CHEMBL3093598) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C27H23N3O4/c1-30(2)21-13-9-18(10-14-21)27(34)29-20-11-7-17(8-12-20)26(33)25-23-6-4-3-5-22(23)19(16-28-25)15-24(31)32/h3-14,16H,15H2,1-2H3,(H,29,34)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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