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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'oshige' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
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 polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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PubMed
3.75E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18+,19-,20+,21+,23+,24-/m1/s1
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4.70E+3n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 5 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18+,19-,20+,21+,23+,24-/m1/s1
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6.60E+3n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 10 microM on rat DNA polymerase beta as a function of nucleotide substrate c...


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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7.84E+3n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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1.12E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha non competitively on dNTP substrate


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109029
PNG
(4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C49H81N5O8S/c1-32(16-21-44(58)59)36-19-20-37-35-18-17-33-30-34(22-25-48(33,2)38(35)23-26-49(36,37)3)62-45(60)24-29-52-43(57)14-7-5-11-27-50-41(55)13-6-4-10-28-51-42(56)15-9-8-12-40-46-39(31-63-40)53-47(61)54-46/h32-40,46H,4-31H2,1-3H3,(H,50,55)(H,51,56)(H,52,57)(H,58,59)(H2,53,54,61)/t32-,33?,34+,35+,36-,37+,38+,39?,40?,46?,48+,49-/m1/s1
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1.28E+4n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 5 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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1.38E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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1.85E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109029
PNG
(4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C49H81N5O8S/c1-32(16-21-44(58)59)36-19-20-37-35-18-17-33-30-34(22-25-48(33,2)38(35)23-26-49(36,37)3)62-45(60)24-29-52-43(57)14-7-5-11-27-50-41(55)13-6-4-10-28-51-42(56)15-9-8-12-40-46-39(31-63-40)53-47(61)54-46/h32-40,46H,4-31H2,1-3H3,(H,50,55)(H,51,56)(H,52,57)(H,58,59)(H2,53,54,61)/t32-,33?,34+,35+,36-,37+,38+,39?,40?,46?,48+,49-/m1/s1
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2.01E+4n/an/an/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition constant of the compound was determined at a concentration of 10 microM on rat DNA polymerase beta as a function of template primer dose


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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2.79E+4n/an/an/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibition constant against DNA polymerase alpha competitively on DNA template


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153117
PNG
((S)-4-((5R,10R,13R,17R)-3-Hydroxy-5,10,13-trimethy...)
Show SMILES C[C@@H](CCC(O)=O)[C@H]1CCC2C3CC[C@]4(C)CC(O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42O3/c1-16(5-8-22(27)28)19-6-7-20-18-10-12-23(2)15-17(26)9-14-25(23,4)21(18)11-13-24(19,20)3/h16-21,26H,5-15H2,1-4H3,(H,27,28)/t16-,17?,18?,19+,20?,21?,23+,24+,25+/m0/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Show InChI InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16?,17+,18+,19-,20+,21+,23+,24-/m1/s1
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n/an/a 1.10E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on the activity of rat DNA polymerase beta was determined by inhibitory dose curves


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109031
PNG
(4-(10,13-Dimethyl-3-{3-[5-(2-oxo-hexahydro-thieno[...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C37H59N3O6S/c1-22(8-13-32(42)43)26-11-12-27-25-10-9-23-20-24(14-17-36(23,2)28(25)15-18-37(26,27)3)46-33(44)16-19-38-31(41)7-5-4-6-30-34-29(21-47-30)39-35(45)40-34/h22-30,34H,4-21H2,1-3H3,(H,38,41)(H,42,43)(H2,39,40,45)/t22-,23?,24+,25+,26-,27+,28+,29?,30?,34?,36+,37-/m1/s1
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n/an/a 3.10E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on the activity of rat DNA polymerase beta was determined by inhibitory dose curves


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109029
PNG
(4-{10,13-Dimethyl-3-[3-(6-{6-[5-(2-oxo-hexahydro-t...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C49H81N5O8S/c1-32(16-21-44(58)59)36-19-20-37-35-18-17-33-30-34(22-25-48(33,2)38(35)23-26-49(36,37)3)62-45(60)24-29-52-43(57)14-7-5-11-27-50-41(55)13-6-4-10-28-51-42(56)15-9-8-12-40-46-39(31-63-40)53-47(61)54-46/h32-40,46H,4-31H2,1-3H3,(H,50,55)(H,51,56)(H,52,57)(H,58,59)(H2,53,54,61)/t32-,33?,34+,35+,36-,37+,38+,39?,40?,46?,48+,49-/m1/s1
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n/an/a 3.20E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on the activity of mammalian DNA polymerase beta was determined by inhibitory dose curves


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153117
PNG
((S)-4-((5R,10R,13R,17R)-3-Hydroxy-5,10,13-trimethy...)
Show SMILES C[C@@H](CCC(O)=O)[C@H]1CCC2C3CC[C@]4(C)CC(O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C25H42O3/c1-16(5-8-22(27)28)19-6-7-20-18-10-12-23(2)15-17(26)9-14-25(23,4)21(18)11-13-24(19,20)3/h16-21,26H,5-15H2,1-4H3,(H,27,28)/t16-,17?,18?,19+,20?,21?,23+,24+,25+/m0/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109032
PNG
((R)-4-[(3S,10S,13R,17R)-10,13-Dimethyl-3-(3-{6-[5-...)
Show SMILES [H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CCC4C[C@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OC(=O)CCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC12
Show InChI InChI=1S/C43H70N4O7S/c1-27(12-17-38(50)51)31-15-16-32-30-14-13-28-25-29(18-21-42(28,2)33(30)19-22-43(31,32)3)54-39(52)20-24-45-37(49)10-5-4-8-23-44-36(48)11-7-6-9-35-40-34(26-55-35)46-41(53)47-40/h27-35,40H,4-26H2,1-3H3,(H,44,48)(H,45,49)(H,50,51)(H2,46,47,53)/t27-,28?,29+,30+,31-,32+,33+,34?,35?,40?,42+,43-/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on the activity of rat DNA polymerase beta was determined by inhibitory dose curves


Bioorg Med Chem Lett 12: 287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50051836
PNG
(CHEMBL2368519 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C48H70N2O28.Na/c1-4-69-44-35(64)40(31(60)24(14-52)71-44)76-43-28(50-42(66)21-10-9-19-7-5-6-8-20(19)11-21)39(75-45-34(63)33(62)29(58)17(2)70-45)37(26(16-54)73-43)74-46-36(65)41(32(61)25(15-53)72-46)78-48(47(67)68)12-22(56)27(49-18(3)55)38(77-48)30(59)23(57)13-51;/h5-11,17,22-41,43-46,51-54,56-65H,4,12-16H2,1-3H3,(H,49,55)(H,50,66)(H,67,68);/q;+1/p-1/t17-,22+,23+,24-,25-,26-,27+,28-,29+,30+,31-,32-,33-,34-,35-,36-,37+,38+,39+,40-,41-,43-,44+,45-,46-,48-;/m0./s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153113
PNG
(CHEMBL364611 | [(3S,10R,13R,17R)-17-((E)-(1R,4S)-4...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O)C(C)C |t:13|
Show InChI InChI=1S/C31H50O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-19-29(32)33)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-28H,7,11-19H2,1-6H3,(H,32,33)/b9-8+/t21-,22-,24+,25?,26-,27?,28?,30+,31-/m1/s1
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n/an/a 1.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50051833
PNG
(CHEMBL2368521 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)c3ccccc3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C44H68N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h5-9,15,18-37,39-42,47-50,52-61H,4,10-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153106
PNG
(CHEMBL189703 | [(3S,10R,13R,17R)-17-((R)-1,5-Dimet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O |t:14|
Show InChI InChI=1S/C29H48O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-26H,6-8,10-18H2,1-5H3,(H,30,31)/t20-,22+,23?,24-,25?,26?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153115
PNG
(1-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO
Show InChI InChI=1S/C29H52O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-27,30-31H,6-18H2,1-5H3/t20-,21+,22+,23?,24-,25?,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153114
PNG
(2-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO)C(C)C |t:13|
Show InChI InChI=1S/C31H52O2/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(33-19-18-32)14-16-30(24,5)29(26)15-17-31(27,28)6/h8-10,21-23,25-29,32H,7,11-20H2,1-6H3/b9-8+/t22-,23-,25+,26?,27-,28?,29?,30+,31-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153110
PNG
(2-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO
Show InChI InChI=1S/C29H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24?,25-,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153118
PNG
(2-[(3S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO |t:14|
Show InChI InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3/t21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153112
PNG
(1-[(3S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO |t:14|
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-27,30-31H,6-8,10-18H2,1-5H3/t20-,22+,23?,24-,25?,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153107
PNG
((3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153112
PNG
(1-[(3S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO |t:14|
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h9,19-20,22-27,30-31H,6-8,10-18H2,1-5H3/t20-,22+,23?,24-,25?,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153118
PNG
(2-[(3S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO |t:14|
Show InChI InChI=1S/C29H50O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h9,20-21,23-27,30H,6-8,10-19H2,1-5H3/t21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153110
PNG
(2-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO
Show InChI InChI=1S/C29H52O2/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(31-18-17-30)13-15-28(22,4)27(24)14-16-29(25,26)5/h20-27,30H,6-19H2,1-5H3/t21-,22+,23+,24?,25-,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153109
PNG
((3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-dimet...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C |t:13|
Show InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153111
PNG
(CHEMBL189667 | [(3S,5S,10S,13R,17R)-17-((R)-1,5-Di...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCC(O)=O
Show InChI InChI=1S/C29H50O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-18-27(30)31)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-26H,6-18H2,1-5H3,(H,30,31)/t20-,21+,22+,23?,24-,25?,26?,28+,29-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153108
PNG
(1-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO)C(C)C |t:13|
Show InChI InChI=1S/C31H52O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-29(33)19-32)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-29,32-33H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153108
PNG
(1-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO)C(C)C |t:13|
Show InChI InChI=1S/C31H52O3/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(34-29(33)19-32)14-16-30(23,5)28(25)15-17-31(26,27)6/h8-10,20-22,24-29,32-33H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25?,26-,27?,28?,29?,30+,31-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153109
PNG
((3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-dimet...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C)C(C)C |t:13|
Show InChI InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21-,23+,24?,25-,26?,27?,28+,29-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153115
PNG
(1-[(3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@H](CC[C@]4(C)C3CC[C@]12C)OC(O)CO
Show InChI InChI=1S/C29H52O3/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(32-27(31)18-30)13-15-28(21,4)26(23)14-16-29(24,25)5/h19-27,30-31H,6-18H2,1-5H3/t20-,21+,22+,23?,24-,25?,26?,27?,28+,29-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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n/an/a>5.00E+5n/an/an/an/an/an/a



Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM20192
PNG
((1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-...)
Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C |t:9|
Show InChI InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit


(Homo sapiens (Human))
BDBM50153107
PNG
((3S,5S,10S,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)-10...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C
Show InChI InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22?,23-,24?,25?,26+,27-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against human DNA polymerase alpha incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50153114
PNG
(2-[(3S,10R,13R,17R)-17-((E)-(1R,4S)-4-Ethyl-1,5-di...)
Show SMILES CC[C@H](\C=C\[C@@H](C)[C@H]1CCC2C3CC=C4C[C@H](CC[C@]4(C)C3CC[C@]12C)OCCO)C(C)C |t:13|
Show InChI InChI=1S/C31H52O2/c1-7-23(21(2)3)9-8-22(4)27-12-13-28-26-11-10-24-20-25(33-19-18-32)14-16-30(24,5)29(26)15-17-31(27,28)6/h8-10,21-23,25-29,32H,7,11-20H2,1-6H3/b9-8+/t22-,23-,25+,26?,27-,28?,29?,30+,31-/m1/s1
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Frontier Research Center for Genome & Drug Discovery

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat DNA polymerase beta incubated with 0.05 units


J Med Chem 47: 4971-4 (2004)


Article DOI: 10.1021/jm030553v
BindingDB Entry DOI: 10.7270/Q2RN37BH
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50051835
PNG
(CHEMBL2368520 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C39H66N2O28.Na/c1-5-60-35-27(56)32(23(52)16(8-43)62-35)67-34-20(41-13(4)47)31(66-36-26(55)25(54)21(50)11(2)61-36)29(18(10-45)64-34)65-37-28(57)33(24(53)17(9-44)63-37)69-39(38(58)59)6-14(48)19(40-12(3)46)30(68-39)22(51)15(49)7-42;/h11,14-37,42-45,48-57H,5-10H2,1-4H3,(H,40,46)(H,41,47)(H,58,59);/q;+1/p-1/t11-,14+,15+,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26-,27-,28-,29+,30+,31+,32-,33-,34-,35+,36-,37-,39-;/m0./s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair
E-selectin


(Homo sapiens (Human))
BDBM50051834
PNG
(CHEMBL2368518 | Ethyl(Sodium 5-actamido-3,5-dideox...)
Show SMILES [Na+].[H][C@]1(O[C@@](C[C@@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@H](CO)O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@H](CO)O[C@@H](OCC)[C@H]3O)[C@@H](NC(=O)C3CCCCC3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O)C([O-])=O)[C@H](O)[C@H](O)CO
Show InChI InChI=1S/C44H74N2O28.Na/c1-4-65-40-31(60)36(27(56)20(12-48)67-40)72-39-24(46-38(62)17-8-6-5-7-9-17)35(71-41-30(59)29(58)25(54)15(2)66-41)33(22(14-50)69-39)70-42-32(61)37(28(57)21(13-49)68-42)74-44(43(63)64)10-18(52)23(45-16(3)51)34(73-44)26(55)19(53)11-47;/h15,17-37,39-42,47-50,52-61H,4-14H2,1-3H3,(H,45,51)(H,46,62)(H,63,64);/q;+1/p-1/t15-,18+,19+,20-,21-,22-,23+,24-,25+,26+,27-,28-,29-,30-,31-,32-,33+,34+,35+,36-,37-,39-,40+,41-,42-,44-;/m0./s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



Cytel Corporation

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of E-selectin-mediated cellular adhesion


J Med Chem 39: 1357-60 (1996)


Article DOI: 10.1021/jm9600611
BindingDB Entry DOI: 10.7270/Q22R3QQ2
More data for this
Ligand-Target Pair