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BDBM50012954 CHEMBL3261360

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\OCCCCc2ccccc2)[nH]c1=O

InChI Key: InChIKey=YIIHWWZMFGDXDI-VDHUWJSZSA-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 = 50012954   
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))
BDBM50012954
PNG
(CHEMBL3261360)
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\OCCCCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/m1/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 214n/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))
BDBM50012954
PNG
(CHEMBL3261360)
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\OCCCCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 251n/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))
BDBM50012954
PNG
(CHEMBL3261360)
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\OCCCCc2ccccc2)[nH]c1=O |r|
Show InChI InChI=1S/C19H28N3O15P3/c23-16-14(12-34-39(29,30)37-40(31,32)36-38(26,27)28)35-18(17(16)24)22-10-9-15(20-19(22)25)21-33-11-5-4-8-13-6-2-1-3-7-13/h1-3,6-7,9-10,14,16-18,23-24H,4-5,8,11-12H2,(H,29,30)(H,31,32)(H,20,21,25)(H2,26,27,28)/t14-,16-,17-,18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 54n/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