BindingDB logo
myBDB logout

BDBM50341895 ((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate::4-THIOURIDINE-5'-MONOPHOSPHATE::4-THIOURIDINE-5'-PHOSPHATE::CHEMBL1230331

SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O

InChI Key: InChIKey=CKTAUHRBDDXUDJ-XVFCMESISA-N

Data: 3 EC50

PDB links: 23 PDB IDs match this monomer.

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 = 50341895   
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)
BDBM50341895
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y2 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)

More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y6


(Homo sapiens)
BDBM50341895
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y6 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)

More data for this
Ligand-Target Pair
Pyrimidinergic receptor P2Y4


(Homo sapiens)
BDBM50341895
PNG
(((2R,3S,4R,5R)-3,4-dihydroxy-5-(2-oxo-4-thioxo-3,4...)
Show SMILES O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=S)[nH]c1=O
Show InChI InChI=1S/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant P2Y4 receptor expressed in human 1321N1 cells assessed as [3H]inositol phosphate intracellular accumulation by ...


J Med Chem 54: 2878-90 (2011)

More data for this
Ligand-Target Pair