BDBM50496861 CHEMBL3220054

SMILES: O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O

InChI Key: InChIKey=PAOIUUIZGOVIOK-XIZJPJQXSA-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 = 50496861   

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
Pyrimidinergic receptor P2Y6 (Homo sapiens (Human))	BDBM50496861 (CHEMBL3220054) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H32N5O20P3/c31-17-7-9-30(25(37)27-17)23-21(35)19(33)15(48-23)12-46-52(40,41)50-53(42,43)49-51(38,39)45-11-14-18(32)20(34)22(47-14)29-8-6-16(26-24(29)36)28-44-10-13-4-2-1-3-5-13/h1-9,14-15,18-23,32-35H,10-12H2,(H,38,39)(H,40,41)(H,42,43)(H,26,28,36)(H,27,31,37)/t14-,15-,18-,19-,20-,21-,22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	126	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 human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...				Medchemcomm 4: 1156-1165 (2013) Article DOI: 10.1039/c3md00132f BindingDB Entry DOI: 10.7270/Q20G3P36
					More data for this Ligand-Target Pair
Pyrimidinergic receptor P2Y4 (Homo sapiens (Human))	BDBM50496861 (CHEMBL3220054) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H32N5O20P3/c31-17-7-9-30(25(37)27-17)23-21(35)19(33)15(48-23)12-46-52(40,41)50-53(42,43)49-51(38,39)45-11-14-18(32)20(34)22(47-14)29-8-6-16(26-24(29)36)28-44-10-13-4-2-1-3-5-13/h1-9,14-15,18-23,32-35H,10-12H2,(H,38,39)(H,40,41)(H,42,43)(H,26,28,36)(H,27,31,37)/t14-,15-,18-,19-,20-,21-,22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	636	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 human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...				Medchemcomm 4: 1156-1165 (2013) Article DOI: 10.1039/c3md00132f BindingDB Entry DOI: 10.7270/Q20G3P36
					More data for this Ligand-Target Pair
Purinergic receptor P2Y2 (Homo sapiens (Human))	BDBM50496861 (CHEMBL3220054) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cc\c(=N\OCc3ccccc3)[nH]c2=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C25H32N5O20P3/c31-17-7-9-30(25(37)27-17)23-21(35)19(33)15(48-23)12-46-52(40,41)50-53(42,43)49-51(38,39)45-11-14-18(32)20(34)22(47-14)29-8-6-16(26-24(29)36)28-44-10-13-4-2-1-3-5-13/h1-9,14-15,18-23,32-35H,10-12H2,(H,38,39)(H,40,41)(H,42,43)(H,26,28,36)(H,27,31,37)/t14-,15-,18-,19-,20-,21-,22-,23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.70E+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 P2Y2 receptor expressed in human 1321N1 cells using [3H]inositol as substrate assessed as [3H]inositol phosphat...				Medchemcomm 4: 1156-1165 (2013) Article DOI: 10.1039/c3md00132f BindingDB Entry DOI: 10.7270/Q20G3P36
					More data for this Ligand-Target Pair