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BDBM50012976 CHEMBL3261367

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\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O

InChI Key: InChIKey=VRMSKJWDXHXVTC-MWQQHZPXSA-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 = 50012976   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50012976
PNG
(CHEMBL3261367)
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\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/m1/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 457n/an/an/an/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))
BDBM50012976
PNG
(CHEMBL3261367)
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\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 9.70E+3n/an/an/an/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))
BDBM50012976
PNG
(CHEMBL3261367)
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\OCCCc2cccc(c2)[N+]([O-])=O)[nH]c1=O |r|
Show InChI InChI=1S/C18H25N4O17P3/c23-15-13(10-36-41(31,32)39-42(33,34)38-40(28,29)30)37-17(16(15)24)21-7-6-14(19-18(21)25)20-35-8-2-4-11-3-1-5-12(9-11)22(26)27/h1,3,5-7,9,13,15-17,23-24H,2,4,8,10H2,(H,31,32)(H,33,34)(H,19,20,25)(H2,28,29,30)/t13-,15-,16-,17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 95n/an/an/an/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