Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50434451'   

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))	BDBM50434451 (CHEMBL2385124) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 in human whole blood assessed as inhibition of PGD2-induced eosinophil shape change				Eur J Med Chem 71: 168-84 (2014) Article DOI: 10.1016/j.ejmech.2013.10.072 BindingDB Entry DOI: 10.7270/Q2GB25HZ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50434451 (CHEMBL2385124) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor in human eosinophil assessed as inhibition of PGD2-induced cell shape change				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50434451 (CHEMBL2385124) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [35S]-GTPgammaS from CRTH2 receptor (unknown origin) expressed in CHOK1 cell membrane after 1 hr by liquid scintillation counter				Eur J Med Chem 113: 102-33 (2016) Article DOI: 10.1016/j.ejmech.2016.02.023 BindingDB Entry DOI: 10.7270/Q2K64KXM
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50434451 (CHEMBL2385124) Show SMILES Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C24H20FNO4S/c1-16-20(21-14-18(25)11-12-22(21)26(16)15-24(27)28)13-17-7-5-6-10-23(17)31(29,30)19-8-3-2-4-9-19/h2-12,14H,13,15H2,1H3,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc...				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair