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Compile Data Set for Download or QSAR

Found 10 hits from 303A College Road East   
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 (alpha/delta/epsilon)


(Homo sapiens)
BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA polymerase gamma subunit 1


(Homo sapiens (human))
BDBM50333127
PNG
((beta-D-2',3'-dideoxy-5'-F-cytidine-5'-triphosphat...)
Show SMILES Nc1ccn([C@H]2CC[C@H](O2)[C@@H](F)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C9H15FN3O12P3/c10-8(23-27(18,19)25-28(20,21)24-26(15,16)17)5-1-2-7(22-5)13-4-3-6(11)12-9(13)14/h3-5,7-8H,1-2H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,7+,8-/m0/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (human))
BDBM50090910
PNG
(3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...)
Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO
Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase II subunit RPB1


(Homo sapiens)
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human RNA polymerase 2


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50333127
PNG
((beta-D-2',3'-dideoxy-5'-F-cytidine-5'-triphosphat...)
Show SMILES Nc1ccn([C@H]2CC[C@H](O2)[C@@H](F)OP(O)(=O)OP(O)(=O)OP(O)(O)=O)c(=O)n1
Show InChI InChI=1S/C9H15FN3O12P3/c10-8(23-27(18,19)25-28(20,21)24-26(15,16)17)5-1-2-7(22-5)13-4-3-6(11)12-9(13)14/h3-5,7-8H,1-2H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,7+,8-/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA-directed RNA polymerase II subunit RPB1


(Homo sapiens)
BDBM50333128
PNG
(((2S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-...)
Show SMILES Nc1ccn([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)C[C@H]2O)c(=O)n1
Show InChI InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-6(13)3-5(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human RNA polymerase 2


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(Homo sapiens)
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a 5.50E+5n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase alpha assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase beta


(Homo sapiens)
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase beta assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper binding...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair
DNA polymerase gamma subunit 1


(Homo sapiens (human))
BDBM50333129
PNG
(((2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1...)
Show SMILES C[C@@]1(F)[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]1n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C10H16FN2O14P3/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,22,23)(H,12,14,16)(H2,17,18,19)/t5-,7-,8-,10-/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



303A College Road East

Curated by ChEMBL


Assay Description
Inhibition of human DNA polymerase gamma assessed as incorporation of [alpha-32P]dCTP up to 1mM preincubated for 30 mins by whatman DE81 paper bindin...


Antimicrob Agents Chemother 54: 3187-96 (2010)


Article DOI: 10.1128/AAC.00399-10
BindingDB Entry DOI: 10.7270/Q2G1614S
More data for this
Ligand-Target Pair