BDBM50012953 CHEMBL3261359

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\OCCCC(O)=O)[nH]c1=O

InChI Key: InChIKey=RFTFMAKDHFXRTP-FAQVLOEFSA-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 = 50012953   

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))	BDBM50012953 (CHEMBL3261359) 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\OCCCC(O)=O)[nH]c1=O |r| Show InChI InChI=1S/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/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	299	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))	BDBM50012953 (CHEMBL3261359) 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\OCCCC(O)=O)[nH]c1=O |r| Show InChI InChI=1S/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/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	697	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))	BDBM50012953 (CHEMBL3261359) 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\OCCCC(O)=O)[nH]c1=O |r| Show InChI InChI=1S/C13H22N3O17P3/c17-9(18)2-1-5-29-15-8-3-4-16(13(21)14-8)12-11(20)10(19)7(31-12)6-30-35(25,26)33-36(27,28)32-34(22,23)24/h3-4,7,10-12,19-20H,1-2,5-6H2,(H,17,18)(H,25,26)(H,27,28)(H,14,15,21)(H2,22,23,24)/t7-,10-,11-,12-/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	470	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