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PubMed code 16038535

Compile data set for download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241922
PNG
(CHEMBL486991 | ddCTP SODIUM | sodium ((2S,5R)-5-(4...)
Show SMILES Nc1ccn([C@H]2CC[C@@H](COP([O-])(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1
Show InChI InChI=1S/C9H16N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h3-4,6,8H,1-2,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/p-1/t6-,8+/m0/s1
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Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241929
PNG
(CHEMBL520861 | Mahureone D)
Show SMILES CCCC(CC(O)=O)C1=C2OC(=O)C(C(=O)CC(C)C)C(=O)C2(CC=C(C)C)CC(CC=C(C)C)C1(C)C
Show InChI InChI=1S/C32H48O6/c1-10-11-22(17-25(34)35)27-29-32(15-14-20(4)5,18-23(31(27,8)9)13-12-19(2)3)28(36)26(30(37)38-29)24(33)16-21(6)7/h12,14,21-23,26H,10-11,13,15-18H2,1-9H3,(H,34,35)
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PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241923
PNG
(CHEMBL521208 | mahureone A)
Show SMILES CC(C)CC(=O)C1C(=O)OC2=C(C(CC(O)=O)c3ccccc3)C(C)(C)C(CC=C(C)C)CC2(CC=C(C)C)C1=O
Show InChI InChI=1S/C35H46O6/c1-21(2)14-15-25-20-35(17-16-22(3)4)31(39)29(27(36)18-23(5)6)33(40)41-32(35)30(34(25,7)8)26(19-28(37)38)24-12-10-9-11-13-24/h9-14,16,23,25-26,29H,15,17-20H2,1-8H3,(H,37,38)
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PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241924
PNG
(CHEMBL486797 | Mahureone B)
Show SMILES CCC(C)C(=O)C1C(=O)OC2=C(C(CC(O)=O)c3ccccc3)C(C)(C)C(CC=C(C)C)CC2(CC=C(C)C)C1=O
Show InChI InChI=1S/C35H46O6/c1-9-23(6)30(38)28-31(39)35(18-17-22(4)5)20-25(16-15-21(2)3)34(7,8)29(32(35)41-33(28)40)26(19-27(36)37)24-13-11-10-12-14-24/h10-15,17,23,25-26,28H,9,16,18-20H2,1-8H3,(H,36,37)
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PubMed
n/an/a 7.30E+4n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50241930
PNG
(CHEMBL486194 | Mahureone E)
Show SMILES CCCC(CC(O)=O)C1=C2OC(=O)C(C(=O)C(C)CC)C(=O)C2(CC=C(C)C)CC(CC=C(C)C)C1(C)C
Show InChI InChI=1S/C32H48O6/c1-10-12-22(17-24(33)34)26-29-32(16-15-20(5)6,18-23(31(26,8)9)14-13-19(3)4)28(36)25(30(37)38-29)27(35)21(7)11-2/h13,15,21-23,25H,10-12,14,16-18H2,1-9H3,(H,33,34)
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PubMed
n/an/a 3.42E+5n/an/an/an/an/an/a



National Center for Scientific Research (CNRS)-Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DNA polymerase beta assessed as fluorescein-12-dCTP incorporation by fluorimetry


J Nat Prod 68: 979-84 (2005)


Article DOI: 10.1021/np049676o
BindingDB Entry DOI: 10.7270/Q2VT1RVB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%