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PubMed code 18852280

Compile data set for download or QSAR
Found 8 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 gamma subunit 1


(Homo sapiens (Human))
BDBM50336503
PNG
(10-acetyl-11-(3-(benzyloxy)-4-methoxyphenyl)-3,3-d...)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O
Show InChI InChI=1S/C31H32N2O4/c1-20(34)33-25-13-9-8-12-23(25)32-24-17-31(2,3)18-26(35)29(24)30(33)22-14-15-27(36-4)28(16-22)37-19-21-10-6-5-7-11-21/h5-16,29-30H,17-19H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (Human))
BDBM50336502
PNG
(10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-2,3...)
Show SMILES CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl2N2O2/c1-13(28)27-19-7-5-4-6-17(19)26-18-11-23(2,3)12-20(29)21(18)22(27)15-9-8-14(24)10-16(15)25/h4-10,21-22H,11-12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50336503
PNG
(10-acetyl-11-(3-(benzyloxy)-4-methoxyphenyl)-3,3-d...)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O
Show InChI InChI=1S/C31H32N2O4/c1-20(34)33-25-13-9-8-12-23(25)32-24-17-31(2,3)18-26(35)29(24)30(33)22-14-15-27(36-4)28(16-22)37-19-21-10-6-5-7-11-21/h5-16,29-30H,17-19H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens (Human))
BDBM50336502
PNG
(10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-2,3...)
Show SMILES CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl2N2O2/c1-13(28)27-19-7-5-4-6-17(19)26-18-11-23(2,3)12-20(29)21(18)22(27)15-9-8-14(24)10-16(15)25/h4-10,21-22H,11-12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50336502
PNG
(10-acetyl-11-(2,4-dichlorophenyl)-3,3-dimethyl-2,3...)
Show SMILES CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2ccccc12)c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H22Cl2N2O2/c1-13(28)27-19-7-5-4-6-17(19)26-18-11-23(2,3)12-20(29)21(18)22(27)15-9-8-14(24)10-16(15)25/h4-10,21-22H,11-12H2,1-3H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens (Human))
BDBM50336503
PNG
(10-acetyl-11-(3-(benzyloxy)-4-methoxyphenyl)-3,3-d...)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1C2C(=O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O
Show InChI InChI=1S/C31H32N2O4/c1-20(34)33-25-13-9-8-12-23(25)32-24-17-31(2,3)18-26(35)29(24)30(33)22-14-15-27(36-4)28(16-22)37-19-21-10-6-5-7-11-21/h5-16,29-30H,17-19H2,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50336501
PNG
(10-acetyl-11-(4-(benzyloxy)-2-chlorophenyl)-6-hydr...)
Show SMILES CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2c(O)cccc12)c1ccc(OCc2ccccc2)cc1Cl
Show InChI InChI=1S/C30H29ClN2O4/c1-18(34)33-24-10-7-11-25(35)28(24)32-23-15-30(2,3)16-26(36)27(23)29(33)21-13-12-20(14-22(21)31)37-17-19-8-5-4-6-9-19/h4-14,27,29,35H,15-17H2,1-3H3
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n/an/a>3.00E+7n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of peripheral benzodiazepine BZD receptor by radioligand binding assay


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
Translocator protein


(Homo sapiens (Human))
BDBM50336501
PNG
(10-acetyl-11-(4-(benzyloxy)-2-chlorophenyl)-6-hydr...)
Show SMILES CC(=O)N1C(C2C(=O)CC(C)(C)CC2=Nc2c(O)cccc12)c1ccc(OCc2ccccc2)cc1Cl
Show InChI InChI=1S/C30H29ClN2O4/c1-18(34)33-24-10-7-11-25(35)28(24)32-23-15-30(2,3)16-26(36)27(23)29(33)21-13-12-20(14-22(21)31)37-17-19-8-5-4-6-9-19/h4-14,27,29,35H,15-17H2,1-3H3
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n/an/a>3.00E+7n/an/an/an/an/an/a



Tibotec BVBA

Curated by ChEMBL


Assay Description
Inhibition of peripheral benzodiazepine BZD receptor by radioligand binding assay


Antimicrob Agents Chemother 52: 4420-31 (2008)


Article DOI: 10.1128/AAC.00669-08
BindingDB Entry DOI: 10.7270/Q26M3732
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%