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Compile Data Set for Download or QSAR

Found 228 hits with Last Name = 'sugawara' and Initial = 'f'   
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/delta/epsilon)


(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
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 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[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)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Competitive inhibition of recombinant rat DNA polymerase beta using poly(dA)/oligo(dT)18 as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
More data for this
Ligand-Target Pair
DNA polymerase beta


(Rattus norvegicus)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[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)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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 kappa


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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9.85E+3n/an/an/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using dTTP as substrate by Dixon plot analy...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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
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)
BDBM50448689
PNG
(CHEMBL3127730)
Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O
Show InChI InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6-,14-13+/t15-/m1/s1
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1.16E+4n/an/an/an/an/an/an/an/a



Kobe Gakuin University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of recombinant rat DNA polymerase beta using dTTP as substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 1070-6 (2014)


Article DOI: 10.1016/j.bmc.2013.12.038
BindingDB Entry DOI: 10.7270/Q22V2HMW
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 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[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)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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 kappa


(Homo sapiens (Human))
BDBM50379292
PNG
(CHEMBL2011646)
Show SMILES C\C=C\C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)[C@@H](O)[C@@H]2CO1
Show InChI InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(24)21(3,19(25)15(12)10-27-14)28-20(26)18-11(2)6-13(22)9-16(18)23/h4-9,15,19,22-23,25H,10H2,1-3H3/b5-4+/t15-,19+,21-/m1/s1
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1.81E+4n/an/an/an/an/an/an/an/a



Science University of Tokyo

Curated by ChEMBL


Assay Description
Non-competitive inhibition of human C-terminal-His6-tagged DNA polymerase kappa expressed in Escherichia coli using ploy(dA)/oligo(dT)18 as substrate...


J Nat Prod 75: 135-41 (2012)


Article DOI: 10.1021/np200523b
BindingDB Entry DOI: 10.7270/Q2T154NG
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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
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 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](CC[C@]4(C)[C@H]3CC[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)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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
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
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223758
PNG
(CHEMBL58925)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C28H45N3O4/c1-5-6-17-31(4)28(35)24(19-21-13-9-7-10-14-21)30-26(33)23(18-20(2)3)29-27(34)25(32)22-15-11-8-12-16-22/h8,11-12,15-16,20-21,23-25,32H,5-7,9-10,13-14,17-19H2,1-4H3,(H,29,34)(H,30,33)/t23-,24-,25-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223748
PNG
(CHEMBL406322)
Show SMILES CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C25H32N4O4S/c1-15(2)12-20(26-21(30)13-17-10-11-34-14-17)23(31)27-22-18-8-6-7-9-19(18)24(32)29(16(3)4)28(5)25(22)33/h6-11,14-16,20,22H,12-13H2,1-5H3,(H,26,30)(H,27,31)/t20-,22?/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223740
PNG
(CHEMBL431679)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)[C@@H](O)c2cc(F)cc(F)c2)c2ccccc2C1=O
Show InChI InChI=1S/C24H26F2N4O5/c1-12(2)30-23(34)18-8-6-5-7-17(18)19(24(35)29(30)4)28-21(32)13(3)27-22(33)20(31)14-9-15(25)11-16(26)10-14/h5-13,19-20,31H,1-4H3,(H,27,33)(H,28,32)/t13-,19?,20-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223752
PNG
(CHEMBL117978)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C)N(C)C1=O
Show InChI InChI=1S/C22H22F2N4O4/c1-12(25-18(29)10-13-8-14(23)11-15(24)9-13)20(30)26-19-16-6-4-5-7-17(16)21(31)27(2)28(3)22(19)32/h4-9,11-12,19H,10H2,1-3H3,(H,25,29)(H,26,30)/t12-,19?/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223762
PNG
(CHEMBL417588)
Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C28H43F2N3O3/c1-5-6-12-33(4)28(36)25(16-20-10-8-7-9-11-20)32-27(35)24(13-19(2)3)31-26(34)17-21-14-22(29)18-23(30)15-21/h14-15,18-20,24-25H,5-13,16-17H2,1-4H3,(H,31,34)(H,32,35)/t24-,25-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223756
PNG
(CHEMBL333710)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccsc2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O4S/c1-13(2)26-21(29)17-8-6-5-7-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)11-15-9-10-31-12-15/h5-10,12-14,19H,11H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223759
PNG
(CHEMBL118469)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C27H32F2N4O4/c1-15(2)10-22(30-23(34)13-17-11-18(28)14-19(29)12-17)25(35)31-24-20-8-6-7-9-21(20)26(36)33(16(3)4)32(5)27(24)37/h6-9,11-12,14-16,22,24H,10,13H2,1-5H3,(H,30,34)(H,31,35)/t22-,24?/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223754
PNG
(CHEMBL332885)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccoc2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O5/c1-13(2)26-21(29)17-8-6-5-7-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)11-15-9-10-31-12-15/h5-10,12-14,19H,11H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223738
PNG
(CHEMBL118450)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc2C1=O
Show InChI InChI=1S/C24H26F2N4O4/c1-13(2)30-23(33)19-8-6-5-7-18(19)21(24(34)29(30)4)28-22(32)14(3)27-20(31)11-15-9-16(25)12-17(26)10-15/h5-10,12-14,21H,11H2,1-4H3,(H,27,31)(H,28,32)/t14-,21?/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223737
PNG
(CHEMBL115852)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccc(F)c2)c2ccccc2C1=O
Show InChI InChI=1S/C24H27FN4O4/c1-14(2)29-23(32)19-11-6-5-10-18(19)21(24(33)28(29)4)27-22(31)15(3)26-20(30)13-16-8-7-9-17(25)12-16/h5-12,14-15,21H,13H2,1-4H3,(H,26,30)(H,27,31)/t15-,21?/m0/s1
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n/an/a 57n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33388
PNG
(dehydroaltenusin derivative, 16)
Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C26H34O6/c1-3-4-5-6-7-8-9-10-11-12-13-31-18-14-19-20-16-21(27)23(29)17-26(20,2)32-25(30)24(19)22(28)15-18/h14-16,28H,3-13,17H2,1-2H3
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n/an/a 60n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223757
PNG
(CHEMBL291976)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Show InChI InChI=1S/C23H28N2O4/c1-14(2)12-18(24-23(29)21(27)15-8-4-3-5-9-15)22(28)25-20-17-11-7-6-10-16(17)13-19(20)26/h3-11,14,18-21,26-27H,12-13H2,1-2H3,(H,24,29)(H,25,28)/t18-,19+,20-,21-/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223761
PNG
(CHEMBL421236)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2-c2ccccc2N(C)C1=O
Show InChI InChI=1S/C26H23F2N3O3/c1-15(29-23(32)13-16-11-17(27)14-18(28)12-16)25(33)30-24-21-9-4-3-7-19(21)20-8-5-6-10-22(20)31(2)26(24)34/h3-12,14-15,24H,13H2,1-2H3,(H,29,32)(H,30,33)/t15-,24?/m0/s1
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n/an/a 76n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223736
PNG
(CHEMBL119657)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccco2)c2ccccc2C1=O
Show InChI InChI=1S/C22H26N4O5/c1-13(2)26-21(29)17-10-6-5-9-16(17)19(22(30)25(26)4)24-20(28)14(3)23-18(27)12-15-8-7-11-31-15/h5-11,13-14,19H,12H2,1-4H3,(H,23,27)(H,24,28)/t14-,19?/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33387
PNG
(dehydroaltenusin derivative, 15)
Show SMILES CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C20H22O6/c1-3-4-5-6-7-25-12-8-13-14-10-15(21)17(23)11-20(14,2)26-19(24)18(13)16(22)9-12/h8-10,22H,3-7,11H2,1-2H3
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n/an/a 90n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223753
PNG
(CHEMBL119059)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccccc2)c2ccccc2C1=O
Show InChI InChI=1S/C24H28N4O4/c1-15(2)28-23(31)19-13-9-8-12-18(19)21(24(32)27(28)4)26-22(30)16(3)25-20(29)14-17-10-6-5-7-11-17/h5-13,15-16,21H,14H2,1-4H3,(H,25,29)(H,26,30)/t16-,21?/m0/s1
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n/an/a 140n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223749
PNG
(CHEMBL332977)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)CC2CCCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C24H34N4O4/c1-15(2)28-23(31)19-13-9-8-12-18(19)21(24(32)27(28)4)26-22(30)16(3)25-20(29)14-17-10-6-5-7-11-17/h8-9,12-13,15-17,21H,5-7,10-11,14H2,1-4H3,(H,25,29)(H,26,30)/t16-,21?/m0/s1
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n/an/a 150n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33386
PNG
(dehydroaltenusin derivative, 14)
Show SMILES CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C17H16O6/c1-3-4-22-9-5-10-11-7-12(18)14(20)8-17(11,2)23-16(21)15(10)13(19)6-9/h5-7,19H,3-4,8H2,1-2H3
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n/an/a 180n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223750
PNG
(CHEMBL119731)
Show SMILES CC(C)[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O
Show InChI InChI=1S/C26H30F2N4O4/c1-14(2)22(29-21(33)12-16-10-17(27)13-18(28)11-16)24(34)30-23-19-8-6-7-9-20(19)25(35)32(15(3)4)31(5)26(23)36/h6-11,13-15,22-23H,12H2,1-5H3,(H,29,33)(H,30,34)/t22-,23?/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223739
PNG
(CHEMBL117056)
Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O
Show InChI InChI=1S/C27H24F2N4O3/c1-16(30-23(34)14-17-12-19(28)15-20(29)13-17)26(35)32-25-27(36)33(2)22-11-7-6-10-21(22)24(31-25)18-8-4-3-5-9-18/h3-13,15-16,25H,14H2,1-2H3,(H,30,34)(H,32,35)/t16-,25?/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33389
PNG
(dehydroaltenusin derivative, 20)
Show SMILES CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O5/c1-14-6-11(17)10(16)5-8(14)7-3-2-4-9(15)12(7)13(18)19-14/h2-5,15H,6H2,1H3
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n/an/a 240n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33384
PNG
(dehydroaltenusin)
Show SMILES COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-5,17H,6H2,1-2H3
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n/an/a 680n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223741
PNG
(CHEMBL333173)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cnc(-c2ccccc2)n(C)c1=O
Show InChI InChI=1S/C25H26F2N4O3/c1-15(2)9-20(29-22(32)12-16-10-18(26)13-19(27)11-16)24(33)30-21-14-28-23(31(3)25(21)34)17-7-5-4-6-8-17/h4-8,10-11,13-15,20H,9,12H2,1-3H3,(H,29,32)(H,30,33)/t20-/m0/s1
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n/an/a 720n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA Polymerase alpha


(Bos taurus (bovine))
BDBM33385
PNG
(desmethyldehydroaltenusin, 2)
Show SMILES CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2
Show InChI InChI=1S/C14H10O6/c1-14-5-11(18)9(16)4-8(14)7-2-6(15)3-10(17)12(7)13(19)20-14/h2-4,15,17H,5H2,1H3
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n/an/a 890n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223751
PNG
(CHEMBL119353)
Show SMILES CC(C)C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)C(=NC1(C)C)c1ccccc1
Show InChI InChI=1S/C27H32F2N4O3/c1-16(2)11-21(30-22(34)14-17-12-19(28)15-20(29)13-17)25(35)31-23-26(36)33(5)24(32-27(23,3)4)18-9-7-6-8-10-18/h6-10,12-13,15-16,21,23H,11,14H2,1-5H3,(H,30,34)(H,31,35)/t21-,23?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223760
PNG
(CHEMBL332071)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccnc2)c2ccccc2C1=O
Show InChI InChI=1S/C23H27N5O4/c1-14(2)28-22(31)18-10-6-5-9-17(18)20(23(32)27(28)4)26-21(30)15(3)25-19(29)12-16-8-7-11-24-13-16/h5-11,13-15,20H,12H2,1-4H3,(H,25,29)(H,26,30)/t15-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Terminal deoxynucleotidyltransferase


(Homo sapiens (Human))
BDBM50143524
PNG
((3aR,4R,7R,7aS)-3,5-Dihexadecyl-3a,4,7,7a-tetrahyd...)
Show SMILES CCCCCCCCCCCCCCCCC1=C(C[C@H]2[C@@H]1[C@@H](C(=O)OC)C(CCCCCCCCCCCCCCCC)=C[C@@H]2C(O)=O)C(O)=O
Show InChI InChI=1S/C45H78O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-34-39(43(46)47)38-35-40(44(48)49)37(42(38)41(36)45(50)51-3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h34,38-39,41-42H,4-33,35H2,1-3H3,(H,46,47)(H,48,49)/t38-,39+,41+,42-/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human terminal deoxynucleotidyltransferase


Bioorg Med Chem Lett 14: 1975-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.092
BindingDB Entry DOI: 10.7270/Q2W095C3
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223764
PNG
(CHEMBL119757)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2ccncc2)c2ccccc2C1=O
Show InChI InChI=1S/C23H27N5O4/c1-14(2)28-22(31)18-8-6-5-7-17(18)20(23(32)27(28)4)26-21(30)15(3)25-19(29)13-16-9-11-24-12-10-16/h5-12,14-15,20H,13H2,1-4H3,(H,25,29)(H,26,30)/t15-,20?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223765
PNG
(CHEMBL420538)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2C1=O
Show InChI InChI=1S/C26H26F6N4O4/c1-13(2)36-23(39)19-8-6-5-7-18(19)21(24(40)35(36)4)34-22(38)14(3)33-20(37)11-15-9-16(25(27,28)29)12-17(10-15)26(30,31)32/h5-10,12-14,21H,11H2,1-4H3,(H,33,37)(H,34,38)/t14-,21?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223755
PNG
(CHEMBL118108)
Show SMILES COc1cc(CC(=O)N[C@@H](C)C(=O)NC2c3ccccc3C(=O)N(C(C)C)N(C)C2=O)cc(OC)c1
Show InChI InChI=1S/C26H32N4O6/c1-15(2)30-25(33)21-10-8-7-9-20(21)23(26(34)29(30)4)28-24(32)16(3)27-22(31)13-17-11-18(35-5)14-19(12-17)36-6/h7-12,14-16,23H,13H2,1-6H3,(H,27,31)(H,28,32)/t16-,23?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
Gamma-Secretase Subunit APH-1A/Gamma-Secretase Subunit PEN-2/Gamma-Secretase Subunit Presenilin-1/Gamma-secretase subunit APH-1B/Nicastrin /Presenilin 2


(Homo sapiens (Human))
BDBM50223763
PNG
(CHEMBL261984)
Show SMILES CC(C)N1N(C)C(=O)C(NC(=O)[C@H](C)NC(=O)Cc2cccc3ccccc23)c2ccccc2C1=O
Show InChI InChI=1S/C28H30N4O4/c1-17(2)32-27(35)23-15-8-7-14-22(23)25(28(36)31(32)4)30-26(34)18(3)29-24(33)16-20-12-9-11-19-10-5-6-13-21(19)20/h5-15,17-18,25H,16H2,1-4H3,(H,29,33)(H,30,34)/t18-,25?/m0/s1
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n/an/a>2.50E+3n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of human gamma-secretase activity


Bioorg Med Chem Lett 14: 3539-43 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.050
BindingDB Entry DOI: 10.7270/Q20K2BR7
More data for this
Ligand-Target Pair
DNA polymerase (alpha/delta/epsilon)


(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
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)
BDBM50109030
PNG
(4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopen...)
Show SMILES C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[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)


Article DOI: 10.1016/s0960-894x(01)00725-9
BindingDB Entry DOI: 10.7270/Q2K936TC
More data for this
Ligand-Target Pair
DNA Polymerase beta


(Rattus norvegicus)
BDBM33388
PNG
(dehydroaltenusin derivative, 16)
Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1
Show InChI InChI=1S/C26H34O6/c1-3-4-5-6-7-8-9-10-11-12-13-31-18-14-19-20-16-21(27)23(29)17-26(20,2)32-25(30)24(19)22(28)15-18/h14-16,28H,3-13,17H2,1-2H3
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PubMed
n/an/a 1.10E+4n/an/an/an/a7.537



Kyoto Prefectural University



Assay Description
For the DNA polymerase reaction, the dehydroaltenusin derivative was dissolved in dimethyl sulfoxide (DMSO) at various concentrations and sonicated f...


Bioorg Med Chem 17: 7227-38 (2009)


Article DOI: 10.1016/j.bmc.2009.08.051
BindingDB Entry DOI: 10.7270/Q2348HQK
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)
BDBM50375301
PNG
(CHEMBL260980)
Show SMILES COc1cc(O)c2c(c1)c1C(C)CC(=O)c1oc2=O
Show InChI InChI=1S/C14H12O5/c1-6-3-10(16)13-11(6)8-4-7(18-2)5-9(15)12(8)14(17)19-13/h4-6,15H,3H2,1-2H3
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n/an/a 1.19E+4n/an/an/an/an/an/a



Tokyo University of Science

Curated by ChEMBL


Assay Description
Inhibition of rat DNA polymerase beta


Bioorg Med Chem 16: 2939-44 (2008)


Article DOI: 10.1016/j.bmc.2007.12.044
BindingDB Entry DOI: 10.7270/Q2J67HST
More data for this
Ligand-Target Pair
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