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Compile Data Set for Download or QSAR

Found 5 hits of ic50 for UniProtKB: P05100   
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
DNA-3-methyladenine glycosylase 1


(Escherichia coli (strain K12))
BDBM50488844
PNG
(3-BENZYLADENINE)
Show SMILES Nc1ncn(Cc2ccccc2)c2ncnc12
Show InChI InChI=1S/C12H11N5/c13-11-10-12(15-7-14-10)17(8-16-11)6-9-4-2-1-3-5-9/h1-5,7-8H,6,13H2
PDB

UniProtKB/SwissProt

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MCE
PC cid
PC sid
UniChem
Article
n/an/a 400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1


Citation and Details

Article DOI: 10.1007/s00044-012-0346-x
BindingDB Entry DOI: 10.7270/Q2Q81H0G
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase 1


(Escherichia coli (strain K12))
BDBM50488842
PNG
(3-BUTYLADENINE)
Show SMILES CCCCn1cnc(N)c2ncnc12
Show InChI InChI=1S/C9H13N5/c1-2-3-4-14-6-13-8(10)7-9(14)12-5-11-7/h5-6H,2-4,10H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1


Citation and Details

Article DOI: 10.1007/s00044-012-0346-x
BindingDB Entry DOI: 10.7270/Q2Q81H0G
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase 1


(Escherichia coli (strain K12))
BDBM50488843
PNG
(3-PROPYLADENINE)
Show SMILES CCCn1cnc(N)c2ncnc12
Show InChI InChI=1S/C8H11N5/c1-2-3-13-5-12-7(9)6-8(13)11-4-10-6/h4-5H,2-3,9H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
n/an/a 5.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1


Citation and Details

Article DOI: 10.1007/s00044-012-0346-x
BindingDB Entry DOI: 10.7270/Q2Q81H0G
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase 1


(Escherichia coli (strain K12))
BDBM50488845
PNG
(3-ETHYLADENINE)
Show SMILES CCn1cnc(N)c2ncnc12
Show InChI InChI=1S/C7H9N5/c1-2-12-4-11-6(8)5-7(12)10-3-9-5/h3-4H,2,8H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
n/an/a 5.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1


Citation and Details

Article DOI: 10.1007/s00044-012-0346-x
BindingDB Entry DOI: 10.7270/Q2Q81H0G
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase 1


(Escherichia coli (strain K12))
BDBM50488841
PNG
(3-METHYLADENINE | CHEBI:38635)
Show SMILES Cn1cnc(N)c2ncnc12
Show InChI InChI=1S/C6H7N5/c1-11-3-10-5(7)4-6(11)9-2-8-4/h2-3H,7H2,1H3
PDB

UniProtKB/SwissProt

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MCE
KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
n/an/a 1.50E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA-3-methyladenine glycosylase 1


Citation and Details

Article DOI: 10.1007/s00044-012-0346-x
BindingDB Entry DOI: 10.7270/Q2Q81H0G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)