BDBM50199176 2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-dione 5'-triphosphate::CHEMBL217803

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S

InChI Key: InChIKey=KHYOUGAATNYCAZ-XVFCMESISA-N

Data: 12 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 12 hits for monomerid = 50199176   

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))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	35	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
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	350	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human P2Y4				J Med Chem 54: 4018-33 (2011) Article DOI: 10.1021/jm101591j BindingDB Entry DOI: 10.7270/Q22F7NT0
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	1.50E+3	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human recombinant P2Y6 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
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	>1.00E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA				J Med Chem 49: 7076-87 (2006) Article DOI: 10.1021/jm060848j BindingDB Entry DOI: 10.7270/Q2SN09RW
					More data for this Ligand-Target Pair
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	50	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human P2Y2 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA				J Med Chem 49: 7076-87 (2006) Article DOI: 10.1021/jm060848j BindingDB Entry DOI: 10.7270/Q2SN09RW
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	1.50E+3	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...				Bioorg Med Chem 16: 6319-32 (2008) Article DOI: 10.1016/j.bmc.2008.05.013 BindingDB Entry DOI: 10.7270/Q2K07569
					More data for this Ligand-Target Pair
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	35	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 recombinant P2Y2 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C				J Med Chem 50: 1166-76 (2007) Article DOI: 10.1021/jm060903o BindingDB Entry DOI: 10.7270/Q2PK0GZ1
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	350	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 recombinant P2Y4 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C				J Med Chem 50: 1166-76 (2007) Article DOI: 10.1021/jm060903o BindingDB Entry DOI: 10.7270/Q2PK0GZ1
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	1.50E+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 recombinant P2Y6 receptor expressed in 1321N1 cells assessed as stimulation of phospholipase C				J Med Chem 50: 1166-76 (2007) Article DOI: 10.1021/jm060903o BindingDB Entry DOI: 10.7270/Q2PK0GZ1
					More data for this Ligand-Target Pair
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	35	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...				Bioorg Med Chem 16: 6319-32 (2008) Article DOI: 10.1016/j.bmc.2008.05.013 BindingDB Entry DOI: 10.7270/Q2K07569
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	350	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Agonist activity at human P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate accumulation by scintillation proximity as...				Bioorg Med Chem 16: 6319-32 (2008) Article DOI: 10.1016/j.bmc.2008.05.013 BindingDB Entry DOI: 10.7270/Q2K07569
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50199176 (2-thio-1-beta-D-ribofuranosyl(3H)pyrimidine-2,4-di...) Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(O)=O)n1ccc(=O)[nH]c1=S |r| Show InChI InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(29)10-5)8-7(14)6(13)4(23-8)3-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,4,6-8,13-14H,3H2,(H,18,19)(H,20,21)(H,10,12,29)(H2,15,16,17)/t4-,6-,7-,8-/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	1.77E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at human P2Y4 receptor expressed in 1321N1 cells assessed as IP accumulation by SPA				J Med Chem 49: 7076-87 (2006) Article DOI: 10.1021/jm060848j BindingDB Entry DOI: 10.7270/Q2SN09RW
					More data for this Ligand-Target Pair