Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin D2 receptor 2' and Ligand = 'BDBM50335957'   

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))	BDBM50335957 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...) Show SMILES CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50335957 (2-(2'-(((benzyloxycarbonyl)(ethyl)amino)methyl)-4'...) Show SMILES CCN(Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1-c1cc(CC(O)=O)ccc1OC)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H31ClN2O7S/c1-3-35(32(38)42-21-22-7-5-4-6-8-22)20-24-19-26(34-43(39,40)27-13-10-25(33)11-14-27)12-15-28(24)29-17-23(18-31(36)37)9-16-30(29)41-2/h4-17,19,34H,3,18,20-21H2,1-2H3,(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
USA. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human CRTh2 receptor expressed in 293 cells by liquid scintillation counting in presence of 0.2 % HSA				Bioorg Med Chem Lett 21: 1036-40 (2011) Article DOI: 10.1016/j.bmcl.2010.12.016 BindingDB Entry DOI: 10.7270/Q27P8ZNT
					More data for this Ligand-Target Pair