Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50360671'   

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))	BDBM50360671 (CHEMBL1933766) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(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	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 0.5% bovine serum albumin				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50360671 (CHEMBL1933766) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(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	4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTH2 receptor expressed in 293 cells by scintillation counting in presence of 0.5 % BSA				Bioorg Med Chem Lett 22: 367-70 (2011) Article DOI: 10.1016/j.bmcl.2011.10.123 BindingDB Entry DOI: 10.7270/Q2057GB8
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50360671 (CHEMBL1933766) Show SMILES CCCCNC(=O)c1ccc(Oc2ccc(CC(O)=O)cc2OC)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C26H27ClN2O7S/c1-3-4-13-28-26(32)18-6-12-22(36-23-11-5-17(15-25(30)31)14-24(23)35-2)21(16-18)29-37(33,34)20-9-7-19(27)8-10-20/h5-12,14,16,29H,3-4,13,15H2,1-2H3,(H,28,32)(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	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]-PGD2 from human CRTH2 receptor expressed in human HEK293 cells by scintillation counter in presence of 50% human plasma				ACS Med Chem Lett 2: 326-330 (2011) Article DOI: 10.1021/ml1002234 BindingDB Entry DOI: 10.7270/Q28K79JH
					More data for this Ligand-Target Pair