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Compile Data Set for Download or QSAR

Found 5 hits of ki for UniProtKB: P06746   
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 polymerase beta


(Homo sapiens)
BDBM50293303
PNG
(CHEMBL498103 | gallic acid 5,6-dihydroxy-3-carboxy...)
Show SMILES OC(=O)c1cc(O)c(O)c(OC(=O)c2ccc(O)c(O)c2O)c1
Show InChI InChI=1S/C14H10O9/c15-7-2-1-6(10(17)12(7)19)14(22)23-9-4-5(13(20)21)3-8(16)11(9)18/h1-4,15-19H,(H,20,21)
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390n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of DNA polymerase beta from human KB3 cells


J Nat Prod 53: 1234-1240 (1990)


Article DOI: 10.1021/np50071a015
BindingDB Entry DOI: 10.7270/Q27P8ZC7
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253141
PNG
([(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,...)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-27(17,18)5-28(19,20)26-29(21,22)23/h3,7-9,14H,2,4-5H2,1H3,(H,17,18)(H,19,20)(H,12,15,16)(H2,21,22,23)/p-4/t7-,8+,9+/m0/s1
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600n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253100
PNG
([(2R,3S,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-...)
Show SMILES Nc1ccn([C@H]2C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)n1
Show InChI InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/p-4/t6-,7+,9+/m0/s1
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900n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50253142
PNG
([(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-...)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)CP([O-])(=O)OP([O-])([O-])=O)O1
Show InChI InChI=1S/C11H18N5O12P3/c12-11-14-9-8(10(18)15-11)13-3-16(9)7-1-5(17)6(27-7)2-26-29(19,20)4-30(21,22)28-31(23,24)25/h3,5-7,17H,1-2,4H2,(H,19,20)(H,21,22)(H2,23,24,25)(H3,12,14,15,18)/p-4/t5-,6+,7+/m0/s1
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1.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50377969
PNG
(CHEMBL1162297)
Show SMILES Nc1ncnc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO[P@](O)(=O)C[P@@](O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C11H18N5O11P3/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(17)7(26-8)2-25-28(18,19)5-29(20,21)27-30(22,23)24/h3-4,6-8,17H,1-2,5H2,(H,18,19)(H,20,21)(H2,12,13,14)(H2,22,23,24)/t6-,7+,8+/m0/s1
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5.00E+3n/an/an/an/an/an/an/an/a



University of Rhode Island

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


J Med Chem 51: 6460-70 (2008)


Article DOI: 10.1021/jm800692a
BindingDB Entry DOI: 10.7270/Q29P32JF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)