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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 = 'BDBM50056964'   
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


(Rattus norvegicus (Rat))
BDBM50056964
PNG
(CHEMBL3331369)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H16N5O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)20-7-19-12-11(17-6-18-15(12)20)8-2-1-3-9(4-8)21(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+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
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056964
PNG
(CHEMBL3331369)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)[N+]([O-])=O |r|
Show InChI InChI=1S/C16H16N5O9P/c22-13-10(5-29-31(26,27)28)30-16(14(13)23)20-7-19-12-11(17-6-18-15(12)20)8-2-1-3-9(4-8)21(24)25/h1-4,6-7,10,13-14,16,22-23H,5H2,(H2,26,27,28)/t10-,13-,14-,16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.30E+3n/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