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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '2'-deoxynucleoside 5'-phosphate N-hydrolase 1' and Ligand = 'BDBM50056968'   
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
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056968
PNG
(CHEMBL3331365)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N4O7P/c27-19-16(10-32-34(29,30)31)33-22(20(19)28)26-12-25-18-17(23-11-24-21(18)26)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12,16,19-20,22,27-28H,10H2,(H2,29,30,31)/t16-,19-,20-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
500n/an/an/an/an/an/an/an/a



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Rattus norvegicus (Rat))
BDBM50056968
PNG
(CHEMBL3331365)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccccc1 |r|
Show InChI InChI=1S/C22H21N4O7P/c27-19-16(10-32-34(29,30)31)33-22(20(19)28)26-12-25-18-17(23-11-24-21(18)26)15-8-4-7-14(9-15)13-5-2-1-3-6-13/h1-9,11-12,16,19-20,22,27-28H,10H2,(H2,29,30,31)/t16-,19-,20-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Universit£ Paris Descartes

Curated by ChEMBL


Assay Description
Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically


Eur J Med Chem 85: 418-37 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.110
BindingDB Entry DOI: 10.7270/Q2SB47D0
More data for this
Ligand-Target Pair