BDBM50013010 CHEMBL3261372

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\OCCCc2ccsc2)[nH]c1=O

InChI Key: InChIKey=SGLXVPVUSHCSPV-NMFUWQPSSA-N

Data: 4 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 4 hits for monomerid = 50013010   

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))	BDBM50013010 (CHEMBL3261372) 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\OCCCc2ccsc2)[nH]c1=O |r| Show InChI InChI=1S/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/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	103	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
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50013010 (CHEMBL3261372) 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\OCCCc2ccsc2)[nH]c1=O |r| Show InChI InChI=1S/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/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	103	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human P2Y2 receptor expressed in 1321N1 cells assessed as [3H]-inositol phosphate accumulation measured after 90 mins by anion ex...				Bioorg Med Chem 26: 366-375 (2018) Article DOI: 10.1016/j.bmc.2017.11.043 BindingDB Entry DOI: 10.7270/Q2NZ8B61
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50013010 (CHEMBL3261372) 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\OCCCc2ccsc2)[nH]c1=O |r| Show InChI InChI=1S/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/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	164	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))	BDBM50013010 (CHEMBL3261372) 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\OCCCc2ccsc2)[nH]c1=O |r| Show InChI InChI=1S/C16H24N3O15P3S/c20-13-11(8-31-36(26,27)34-37(28,29)33-35(23,24)25)32-15(14(13)21)19-5-3-12(17-16(19)22)18-30-6-1-2-10-4-7-38-9-10/h3-5,7,9,11,13-15,20-21H,1-2,6,8H2,(H,26,27)(H,28,29)(H,17,18,22)(H2,23,24,25)/t11-,13-,14-,15-/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	20	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