Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50381827'   

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))	BDBM50381827 (CHEMBL2023653) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18Cl2N2O3/c26-21-10-5-15(11-22(21)27)13-28-18-8-6-16(7-9-18)25(32)24-20-4-2-1-3-19(20)17(14-29-24)12-23(30)31/h1-11,14,28H,12-13H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	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))	BDBM50381827 (CHEMBL2023653) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18Cl2N2O3/c26-21-10-5-15(11-22(21)27)13-28-18-8-6-16(7-9-18)25(32)24-20-4-2-1-3-19(20)17(14-29-24)12-23(30)31/h1-11,14,28H,12-13H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	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))	BDBM50381827 (CHEMBL2023653) Show SMILES OC(=O)Cc1cnc(C(=O)c2ccc(NCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc12 Show InChI InChI=1S/C25H18Cl2N2O3/c26-21-10-5-15(11-22(21)27)13-28-18-8-6-16(7-9-18)25(32)24-20-4-2-1-3-19(20)17(14-29-24)12-23(30)31/h1-11,14,28H,12-13H2,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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