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Compile Data Set for Download or QSAR

Found 7 hits of affinity data for UniProtKB/TrEMBL: P29372   
Target
(Institution)
LigandTarget
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
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM60996
PNG
(5-[(3-carboxy-4-hydroxy-phenyl)-(3-carboxy-4-keto-...)
Show SMILES OC(=O)C1=CC(C=CC1=O)=C(c1ccc(O)c(c1)C(O)=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)
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PubMed
n/an/a 200n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM67690
PNG
(1,4-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis...)
Show SMILES OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12
Show InChI InChI=1S/C22H28N4O6/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32/h1-4,23-30H,5-12H2
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KEGG
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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CHEMBL
KEGG
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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM23223
PNG
(7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-...)
Show SMILES CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O
Show InChI InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of human purified MPG pre-incubated with compound for 10 mins followed by addition of 1,N6 ethenoadenine containing 32P-labeled duplex oli...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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CHEMBL
KEGG
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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of human purified MPG binding to immobilized ethenoadenine containing 5'-TCGAGGATCCTGAGCTCGAGTCGACGXTCGCGAATTCTGCGGATCCAAGC-3' duplex olig...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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CHEMBL
KEGG
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of MPG in human A549 cell extracts at 50 to 300 uM using 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by ge...


Citation and Details
More data for this
Ligand-Target Pair
DNA-3-methyladenine glycosylase


(Homo sapiens)
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
PDB

UniProtKB/SwissProt

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CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Department of Oncology, Georgetown Lombardi Comprehensive Cancer Center, Georgetown University, Washington, DC 20057, United States.

Curated by ChEMBL


Assay Description
Inhibition of MPG in human HeLa cell extracts at 50 to 300 uM using 1,N6 ethenoadenine containing 32P-labeled duplex oligonucleotide substrates by ge...


Citation and Details
More data for this
Ligand-Target Pair