Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM50013012'   

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
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50013012 (CHEMBL3261374) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O |r| Show InChI InChI=1S/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	139	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human P2Y2 receptor expressed in 1321N1 cells assessed as [3H]-inositol phosphate accumulation measured after 90 mins by anion ex...				Bioorg Med Chem 26: 366-375 (2018) Article DOI: 10.1016/j.bmc.2017.11.043 BindingDB Entry DOI: 10.7270/Q2NZ8B61
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Homo sapiens (Human))	BDBM50013012 (CHEMBL3261374) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cc\c(=N\OCCCc2ccc3ccccc3c2)[nH]c1=O |r| Show InChI InChI=1S/C22H28N3O15P3/c26-19-17(13-37-42(32,33)40-43(34,35)39-41(29,30)31)38-21(20(19)27)25-10-9-18(23-22(25)28)24-36-11-3-4-14-7-8-15-5-1-2-6-16(15)12-14/h1-2,5-10,12,17,19-21,26-27H,3-4,11,13H2,(H,32,33)(H,34,35)(H,23,24,28)(H2,29,30,31)/t17-,19-,20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	139	n/a	n/a	n/a	n/a
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL					Assay Description Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as stimulation of [3H]inositol phosphate accumulation by liquid scin...				J Med Chem 57: 3874-83 (2014) Article DOI: 10.1021/jm500367e BindingDB Entry DOI: 10.7270/Q2V989M9
					More data for this Ligand-Target Pair