BDBM50012955 CHEMBL3261361

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\OCCOc2ccccc2)[nH]c1=O

InChI Key: InChIKey=AXEDFADFROXMCZ-DTZQCDIJSA-N

Data: 3 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 3 hits for monomerid = 50012955   

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))	BDBM50012955 (CHEMBL3261361) 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\OCCOc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/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	3.40E+3	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
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50012955 (CHEMBL3261361) 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\OCCOc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.78E+3	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 P2Y6 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
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50012955 (CHEMBL3261361) 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\OCCOc2ccccc2)[nH]c1=O |r| Show InChI InChI=1S/C17H24N3O16P3/c21-14-12(10-33-38(27,28)36-39(29,30)35-37(24,25)26)34-16(15(14)22)20-7-6-13(18-17(20)23)19-32-9-8-31-11-4-2-1-3-5-11/h1-7,12,14-16,21-22H,8-10H2,(H,27,28)(H,29,30)(H,18,19,23)(H2,24,25,26)/t12-,14-,15-,16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	430	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 P2Y4 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