Found 228 hits with Last Name = 'sugawara' and Initial = 'f' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50153106
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM50448689
(CHEMBL3127730)Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r,t:3,5| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 catalytic subunit
(Homo sapiens (Human)) | BDBM50153113
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL3127730)Show SMILES CCCC[C@@H](O)\C=C(/C)\C=C\C=C/C(=O)N1CCCC1=O |r| 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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 |r,t:3,5| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 catalytic subunit
(Homo sapiens (Human)) | BDBM50153106
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.85E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223758
(CHEMBL58925)Show SMILES CCCCN(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](O)c1ccccc1 |r| 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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223748
(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 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223740
(CHEMBL431679)Show SMILES [H][C@@](O)(C(=O)N[C@@H](C)C(=O)NC1c2ccccc2C(=O)N(C(C)C)N(C)C1=O)c1cc(F)cc(F)c1 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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223752
(CHEMBL117978)Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1c2ccccc2C(=O)N(C)N(C)C1=O |r| 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 | PDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223762
(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 | PDB
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Similars
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223756
(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 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223759
(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 | PDB
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Similars
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223754
(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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223738
(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 | PDB
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PC sid
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Similars
| PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223737
(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 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha subunit B
(Bos taurus (bovine)) | BDBM33388
(dehydroaltenusin derivative, 16)Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:28| 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 | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223757
(CHEMBL291976)Show SMILES [H][C@@](O)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]1([H])c2ccccc2C[C@@]1([H])O)c1ccccc1 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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223761
(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 | PDB
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CHEMBL
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223736
(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 | PDB
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Similars
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha subunit B
(Bos taurus (bovine)) | BDBM33387
(dehydroaltenusin derivative, 15)Show SMILES CCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:22| 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 | PDB
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223753
(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 | PDB
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Similars
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223749
(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 | PDB
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Similars
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| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha subunit B
(Bos taurus (bovine)) | BDBM33386
(dehydroaltenusin derivative, 14)Show SMILES CCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:19| 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 | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223750
(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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223739
(CHEMBL117056)Show SMILES C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O |t:19| 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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha subunit B
(Bos taurus (bovine)) | BDBM33389
(dehydroaltenusin derivative, 20)Show SMILES CC12CC(=O)C(=O)C=C1c1cccc(O)c1C(=O)O2 |c:7| 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 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 subunit B
(Bos taurus (bovine)) | BDBM33384
(dehydroaltenusin)Show SMILES COc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:17| 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 | PDB
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| n/a | n/a | 680 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223741
(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 | PDB
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Similars
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| n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha subunit B
(Bos taurus (bovine)) | BDBM33385
(desmethyldehydroaltenusin, 2)Show SMILES CC12CC(=O)C(=O)C=C1c1cc(O)cc(O)c1C(=O)O2 |c:7| 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 | PDB
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| n/a | n/a | 890 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223751
(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 |c:26| 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 | PDB
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UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223760
(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 | PDB
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| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA nucleotidylexotransferase
(Homo sapiens (Human)) | BDBM50143524
((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 |c:43,t:16| 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 | PDB
MMDB
NCI pathway
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223764
(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 | PDB
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PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223765
(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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223755
(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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
Gamma-secretase subunit APH-1A/Gamma-secretase subunit APH-1B/Gamma-secretase subunit PEN-2/Nicastrin/Presenilin-1/Presenilin-2
(Homo sapiens (Human)) | BDBM50223763
(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 | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Science
Curated by ChEMBL
| Assay Description
Inhibition of human gamma-secretase activity |
Bioorg Med Chem Lett 14: 3539-43 (2004)
BindingDB Entry DOI: 10.7270/Q20K2BR7 |
More data for this
Ligand-Target Pair | |
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human)) | BDBM50153113
(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 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
MMDB
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CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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) | BDBM33388
(dehydroaltenusin derivative, 16)Show SMILES CCCCCCCCCCCCOc1cc(O)c2C(=O)OC3(C)CC(=O)C(=O)C=C3c2c1 |c:28| 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 | PDB
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Reactome pathway
KEGG
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | 7.5 | 37 |
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
((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 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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
(CHEMBL260980)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 | PDB
MMDB
Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/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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