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BDBM50012978 CHEMBL3261369

SMILES: COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1

InChI Key: InChIKey=NIHFTZIOZPMEPG-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 = 50012978   
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))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(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

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 47n/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))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(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 277n/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))
BDBM50012978
PNG
(CHEMBL3261369)
Show SMILES COc1ccc(CCCO\N=c2\ccn([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C19H28N3O16P3/c1-33-13-6-4-12(5-7-13)3-2-10-34-21-15-8-9-22(19(25)20-15)18-17(24)16(23)14(36-18)11-35-40(29,30)38-41(31,32)37-39(26,27)28/h4-9,14,16-18,23-24H,2-3,10-11H2,1H3,(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 23n/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