BindingDB logo
myBDB logout

BDBM50056955 CHEMBL3356090

SMILES: O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1cccc2c3ccccc3sc12

InChI Key: InChIKey=PIRFJRGEOQQQOU-QZHHGCDDSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50056955   
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)
BDBM50056955
PNG
(CHEMBL3356090)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1cccc2c3ccccc3sc12
Show InChI InChI=1S/C28H23N4O7PS/c33-24-20(12-38-40(35,36)37)39-28(25(24)34)32-14-31-23-22(29-13-30-27(23)32)16-6-3-5-15(11-16)17-8-4-9-19-18-7-1-2-10-21(18)41-26(17)19/h1-11,13-14,20,24-25,28,33-34H,12H2,(H2,35,36,37)/t20-,24-,25-,28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40E+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))
BDBM50056955
PNG
(CHEMBL3356090)
Show SMILES O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(ncnc12)-c1cccc(c1)-c1cccc2c3ccccc3sc12
Show InChI InChI=1S/C28H23N4O7PS/c33-24-20(12-38-40(35,36)37)39-28(25(24)34)32-14-31-23-22(29-13-30-27(23)32)16-6-3-5-15(11-16)17-8-4-9-19-18-7-1-2-10-21(18)41-26(17)19/h1-11,13-14,20,24-25,28,33-34H,12H2,(H2,35,36,37)/t20-,24-,25-,28-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30E+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