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PDB code 3EUF

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Uridine phosphorylase (UPase)

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 6.60E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 150 uM R1P by isothermal titration calori...


J Med Chem 56: 8892-902 (2013)


Article DOI: 10.1021/jm401389u
BindingDB Entry DOI: 10.7270/Q2HX1F44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1 expressed in Escherichia coli Rosetta (DE3) by isothermal titration calorimetric analysis


J Med Chem 56: 8892-902 (2013)


Article DOI: 10.1021/jm401389u
BindingDB Entry DOI: 10.7270/Q2HX1F44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1.40E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-inorganic phosphate binary complex expressed in Escherichia coli Rosetta (DE3) by isothermal titration calo...


J Med Chem 56: 8892-902 (2013)


Article DOI: 10.1021/jm401389u
BindingDB Entry DOI: 10.7270/Q2HX1F44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Uridine phosphorylase (UPase)

  (310/310 = 100%)
(Homo sapiens (Human))
BDBM50026387
PNG
(1-((2-HYDROXYETHOXY)METHYL)-5-BENZYLPYRIMIDINE-2,4...)
Show SMILES OCCOCn1cc(Cc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4/c17-6-7-20-10-16-9-12(13(18)15-14(16)19)8-11-4-2-1-3-5-11/h1-5,9,17H,6-8,10H2,(H,15,18,19)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/an/a 1.20E+3n/an/an/an/an/a



Pontifícia Universidade Católica do Rio Grande do Sul (PUCRS)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant UP1-R1P binary complex expressed in Escherichia coli Rosetta (DE3) at 50 uM R1P by isothermal titration calorim...


J Med Chem 56: 8892-902 (2013)


Article DOI: 10.1021/jm401389u
BindingDB Entry DOI: 10.7270/Q2HX1F44
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output