Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50381822'   

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))	BDBM50381822 (CHEMBL2023648) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C26H20N2O5/c1-33-20-12-8-17(9-13-20)26(32)28-19-10-6-16(7-11-19)25(31)24-22-5-3-2-4-21(22)18(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381822 (CHEMBL2023648) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C26H20N2O5/c1-33-20-12-8-17(9-13-20)26(32)28-19-10-6-16(7-11-19)25(31)24-22-5-3-2-4-21(22)18(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	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 receptor expressed in CHO cells				Bioorg Med Chem Lett 22: 3305-10 (2012) Article DOI: 10.1016/j.bmcl.2012.03.009 BindingDB Entry DOI: 10.7270/Q2KS6SK7
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50381822 (CHEMBL2023648) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)c1ncc(CC(O)=O)c2ccccc12 Show InChI InChI=1S/C26H20N2O5/c1-33-20-12-8-17(9-13-20)26(32)28-19-10-6-16(7-11-19)25(31)24-22-5-3-2-4-21(22)18(15-27-24)14-23(29)30/h2-13,15H,14H2,1H3,(H,28,32)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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