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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 = 'BDBM50056954'   
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))
BDBM50056954
PNG
(CHEMBL3331381)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H25N4O8P/c1-37-20-8-7-17-9-16(5-6-18(17)11-20)15-3-2-4-19(10-15)22-23-26(29-13-28-22)31(14-30-23)27-25(33)24(32)21(39-27)12-38-40(34,35)36/h2-11,13-14,21,24-25,27,32-33H,12H2,1H3,(H2,34,35,36)/t21-,24-,25-,27-/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))
BDBM50056954
PNG
(CHEMBL3331381)
Show SMILES COc1ccc2cc(ccc2c1)-c1cccc(c1)-c1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H25N4O8P/c1-37-20-8-7-17-9-16(5-6-18(17)11-20)15-3-2-4-19(10-15)22-23-26(29-13-28-22)31(14-30-23)27-25(33)24(32)21(39-27)12-38-40(34,35)36/h2-11,13-14,21,24-25,27,32-33H,12H2,1H3,(H2,34,35,36)/t21-,24-,25-,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60E+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