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BDBM50345496 CHEMBL1784904::P1-(Uridine-5'-)P4-(3'-deoxy-3'-fluoroglucose-1'-)tetraphosphate

SMILES: OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](F)[C@@H]1O

InChI Key: InChIKey=IDFAEUCMIWFSPP-SAINOKEESA-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 = 50345496   
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))
BDBM50345496
PNG
(CHEMBL1784904 | P1-(Uridine-5'-)P4-(3'-deoxy-3'-fl...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](F)[C@@H]1O |r|
Show InChI InChI=1S/C15H25FN2O22P4/c16-8-9(21)5(3-19)36-14(11(8)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-6-10(22)12(24)13(35-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 710n/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
Pyrimidinergic receptor P2Y6


(Homo sapiens (Human))
BDBM50345496
PNG
(CHEMBL1784904 | P1-(Uridine-5'-)P4-(3'-deoxy-3'-fl...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](F)[C@@H]1O |r|
Show InChI InChI=1S/C15H25FN2O22P4/c16-8-9(21)5(3-19)36-14(11(8)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-6-10(22)12(24)13(35-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 950n/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 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
Pyrimidinergic receptor P2Y4


(Homo sapiens (Human))
BDBM50345496
PNG
(CHEMBL1784904 | P1-(Uridine-5'-)P4-(3'-deoxy-3'-fl...)
Show SMILES OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](F)[C@@H]1O |r|
Show InChI InChI=1S/C15H25FN2O22P4/c16-8-9(21)5(3-19)36-14(11(8)23)37-42(28,29)39-44(32,33)40-43(30,31)38-41(26,27)34-4-6-10(22)12(24)13(35-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,17,20,25)/t5-,6-,8+,9-,10-,11-,12-,13-,14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 62n/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