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BDBM50345483 CHEMBL1784891::N4-t-Butyloxycytidine-5'-triphosphate

SMILES: CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1

InChI Key: InChIKey=UJSOQUAGCZVHGO-QCNRFFRDSA-N

Data: 2 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 2 hits for monomerid = 50345483   
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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50345483
PNG
(CHEMBL1784891 | N4-t-Butyloxycytidine-5'-triphosph...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C13H24N3O15P3/c1-13(2,3)29-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(28-11)6-27-33(23,24)31-34(25,26)30-32(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,25,26)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.11E+3n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human P2Y4


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Homo sapiens (Human))
BDBM50345483
PNG
(CHEMBL1784891 | N4-t-Butyloxycytidine-5'-triphosph...)
Show SMILES CC(C)(C)ONc1ccn([C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)n1 |r|
Show InChI InChI=1S/C13H24N3O15P3/c1-13(2,3)29-15-8-4-5-16(12(19)14-8)11-10(18)9(17)7(28-11)6-27-33(23,24)31-34(25,26)30-32(20,21)22/h4-5,7,9-11,17-18H,6H2,1-3H3,(H,23,24)(H,25,26)(H,14,15,19)(H2,20,21,22)/t7-,9-,10-,11-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate production after 30 mins by sc...


J Med Chem 54: 4018-33 (2011)


Article DOI: 10.1021/jm101591j
BindingDB Entry DOI: 10.7270/Q22F7NT0
More data for this
Ligand-Target Pair