Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM50345497'   

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))	BDBM50345497 (CHEMBL1784291 | P1-(N4-Benzyloxycytidine-5'-)P4-(3...) Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(NOCc3ccccc3)nc2=O)[C@H](O)[C@@H](F)[C@@H]1O |r| Show InChI InChI=1S/C22H32FN3O22P4/c23-15-16(28)12(8-27)44-21(18(15)30)45-50(35,36)47-52(39,40)48-51(37,38)46-49(33,34)42-10-13-17(29)19(31)20(43-13)26-7-6-14(24-22(26)32)25-41-9-11-4-2-1-3-5-11/h1-7,12-13,15-21,27-31H,8-10H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,24,25,32)/t12-,13-,15+,16-,17-,18-,19-,20-,21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by sc...				J Med Chem 54: 4018-33 (2011) Article DOI: 10.1021/jm101591j BindingDB Entry DOI: 10.7270/Q22F7NT0
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