BDBM50371594 CHEMBL1162161

SMILES: OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12

InChI Key: InChIKey=UUVIIETYGXJNFI-WJXSMWEMSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50371594   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50371594 (CHEMBL1162161) Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/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	1.39E+4	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at P2Y2 receptor expressed in human 1321 cells by calcium mobilization assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair
Purinergic receptor P2Y12 (Homo sapiens (Human))	BDBM50371594 (CHEMBL1162161) Show SMILES OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@@H]2O[C@H](Cc3ccccc3)O[C@H]12)n1cnc2c(NC(=O)Nc3ccccc3)ncnc12 |r| Show InChI InChI=1S/C25H26N6O11P2/c32-25(29-16-9-5-2-6-10-16)30-22-19-23(27-13-26-22)31(14-28-19)24-21-20(40-18(41-21)11-15-7-3-1-4-8-15)17(39-24)12-38-44(36,37)42-43(33,34)35/h1-10,13-14,17-18,20-21,24H,11-12H2,(H,36,37)(H2,33,34,35)(H2,26,27,29,30,32)/t17-,18-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Inspire Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Antagonist activity at P2Y12 receptor assessed as inhibition of ADP-induced human platelet aggregation by washed platelet assay				J Med Chem 51: 1007-25 (2008) Article DOI: 10.1021/jm701348d BindingDB Entry DOI: 10.7270/Q2P55PB6
					More data for this Ligand-Target Pair