BDBM50013011 CHEMBL3261373

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#C)[nH]c1=O

InChI Key: InChIKey=CYLHTYSEZSCXEN-OJAKKHQRSA-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 = 50013011   

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))	BDBM50013011 (CHEMBL3261373) 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#C)[nH]c1=O |r| Show InChI InChI=1S/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/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	168	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))	BDBM50013011 (CHEMBL3261373) 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#C)[nH]c1=O |r| Show InChI InChI=1S/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/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	3.00E+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))	BDBM50013011 (CHEMBL3261373) 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#C)[nH]c1=O |r| Show InChI InChI=1S/C14H22N3O15P3/c1-2-3-4-7-28-16-10-5-6-17(14(20)15-10)13-12(19)11(18)9(30-13)8-29-34(24,25)32-35(26,27)31-33(21,22)23/h1,5-6,9,11-13,18-19H,3-4,7-8H2,(H,24,25)(H,26,27)(H,15,16,20)(H2,21,22,23)/t9-,11-,12-,13-/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	410	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