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BDBM50056953 CHEMBL3331380

SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccc(cc1)C(O)=O

InChI Key: InChIKey=UUOGQUYTBJZJGC-KREFBHGWSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056953   
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
2'-deoxynucleoside 5'-phosphate N-hydrolase 1


(Homo sapiens (Human))
BDBM50056953
PNG
(CHEMBL3331380)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21N4O9P/c28-19-16(9-35-37(32,33)34)36-22(20(19)29)27-11-26-18-17(24-10-25-21(18)27)15-3-1-2-14(8-15)12-4-6-13(7-5-12)23(30)31/h1-8,10-11,16,19-20,22,28-29H,9H2,(H,30,31)(H2,32,33,34)/t16-,19-,20-,22-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+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
Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)


(Rattus norvegicus (Rat))
BDBM50056953
PNG
(CHEMBL3331380)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C23H21N4O9P/c28-19-16(9-35-37(32,33)34)36-22(20(19)29)27-11-26-18-17(24-10-25-21(18)27)15-3-1-2-14(8-15)12-4-6-13(7-5-12)23(30)31/h1-8,10-11,16,19-20,22,28-29H,9H2,(H,30,31)(H2,32,33,34)/t16-,19-,20-,22-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+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