BindingDB logo
myBDB logout

PubMed code 27658793

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197097
PNG
(CHEMBL3909527)
Show SMILES CC1(C)[C@H]2C[C@@H]1C(COc1ccc3c4CCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C22H24O3/c1-22(2)14-7-6-13(19(22)10-14)12-24-15-8-9-17-16-4-3-5-18(16)21(23)25-20(17)11-15/h6,8-9,11,14,19H,3-5,7,10,12H2,1-2H3/t14-,19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 675n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197102
PNG
(CHEMBL3980694)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CCOc1ccc3c4CCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C23H26O3/c1-23(2)15-7-6-14(20(23)12-15)10-11-25-16-8-9-18-17-4-3-5-19(17)22(24)26-21(18)13-16/h6,8-9,13,15,20H,3-5,7,10-12H2,1-2H3/t15-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197099
PNG
(CHEMBL3918464)
Show SMILES CC1(C)[C@H]2C[C@@H]1C(COc1ccc3c4CCCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C23H26O3/c1-23(2)15-8-7-14(20(23)11-15)13-25-16-9-10-18-17-5-3-4-6-19(17)22(24)26-21(18)12-16/h7,9-10,12,15,20H,3-6,8,11,13H2,1-2H3/t15-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197098
PNG
(CHEMBL3931242)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(COc1ccc3c4CCCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C23H26O3/c1-23(2)15-8-7-14(20(23)11-15)13-25-16-9-10-18-17-5-3-4-6-19(17)22(24)26-21(18)12-16/h7,9-10,12,15,20H,3-6,8,11,13H2,1-2H3/t15-,20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197151
PNG
(CHEMBL3928452)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(COc1ccc3c4CCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C22H24O3/c1-22(2)14-7-6-13(19(22)10-14)12-24-15-8-9-17-16-4-3-5-18(16)21(23)25-20(17)11-15/h6,8-9,11,14,19H,3-5,7,10,12H2,1-2H3/t14-,19-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.37E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197096
PNG
(CHEMBL3927410)
Show SMILES CC1(C)[C@@H]2C[C@H]1C(CCOc1ccc3c4CCCCc4c(=O)oc3c1)=CC2
Show InChI InChI=1S/C24H28O3/c1-24(2)16-8-7-15(21(24)13-16)11-12-26-17-9-10-19-18-5-3-4-6-20(18)23(25)27-22(19)14-17/h7,9-10,14,16,21H,3-6,8,11-13H2,1-2H3/t16-,21-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.45E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197107
PNG
(CHEMBL3966564)
Show SMILES Cc1cc(=O)oc2cc(OCC3=CC[C@H]4C[C@@H]3C4(C)C)ccc12
Show InChI InChI=1S/C20H22O3/c1-12-8-19(21)23-18-10-15(6-7-16(12)18)22-11-13-4-5-14-9-17(13)20(14,2)3/h4,6-8,10,14,17H,5,9,11H2,1-3H3/t14-,17-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.56E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197152
PNG
(CHEMBL3904764)
Show SMILES Cc1cc(=O)oc2cc(OCC3=CC[C@@H]4C[C@H]3C4(C)C)ccc12
Show InChI InChI=1S/C20H22O3/c1-12-8-19(21)23-18-10-15(6-7-16(12)18)22-11-13-4-5-14-9-17(13)20(14,2)3/h4,6-8,10,14,17H,5,9,11H2,1-3H3/t14-,17-/m1/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.31E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197095
PNG
(CHEMBL3984180)
Show SMILES COc1cccc(COc2ccc3c4CCCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C21H20O4/c1-23-15-6-4-5-14(11-15)13-24-16-9-10-18-17-7-2-3-8-19(17)21(22)25-20(18)12-16/h4-6,9-12H,2-3,7-8,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.93E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM76662
PNG
(4-methyl-7-phenylmethoxy-1-benzopyran-2-one | 4-me...)
Show SMILES Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.28E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50409092
PNG
(CHEMBL146222)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCCc12
Show InChI InChI=1S/C20H18O3/c21-20-18-9-5-4-8-16(18)17-11-10-15(12-19(17)23-20)22-13-14-6-2-1-3-7-14/h1-3,6-7,10-12H,4-5,8-9,13H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.62E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50409101
PNG
(CHEMBL142799)
Show SMILES O=c1oc2cc(OCc3ccccc3)ccc2c2CCCc12
Show InChI InChI=1S/C19H16O3/c20-19-17-8-4-7-15(17)16-10-9-14(11-18(16)22-19)21-12-13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.17E+3n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197154
PNG
(CHEMBL1453117)
Show SMILES COc1cccc(COc2ccc3c(C)cc(=O)oc3c2)c1
Show InChI InChI=1S/C18H16O4/c1-12-8-18(19)22-17-10-15(6-7-16(12)17)21-11-13-4-3-5-14(9-13)20-2/h3-10H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197101
PNG
(CHEMBL191905)
Show SMILES COc1cccc(COc2ccc3c4CCCc4c(=O)oc3c2)c1
Show InChI InChI=1S/C20H18O4/c1-22-14-5-2-4-13(10-14)12-23-15-8-9-17-16-6-3-7-18(16)20(21)24-19(17)11-15/h2,4-5,8-11H,3,6-7,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197150
PNG
(CHEMBL3975575)
Show SMILES COc1cc(COc2ccc3c(C)cc(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C20H20O6/c1-12-7-19(21)26-16-10-14(5-6-15(12)16)25-11-13-8-17(22-2)20(24-4)18(9-13)23-3/h5-10H,11H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197100
PNG
(CHEMBL3946339)
Show SMILES COc1cc(COc2ccc3c4CCCCc4c(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C23H24O6/c1-25-20-10-14(11-21(26-2)22(20)27-3)13-28-15-8-9-17-16-6-4-5-7-18(16)23(24)29-19(17)12-15/h8-12H,4-7,13H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50197153
PNG
(CHEMBL3937471)
Show SMILES COc1cc(COc2ccc3c4CCCc4c(=O)oc3c2)cc(OC)c1OC
Show InChI InChI=1S/C22H22O6/c1-24-19-9-13(10-20(25-2)21(19)26-3)12-27-14-7-8-16-15-5-4-6-17(15)22(23)28-18(16)11-14/h7-11H,4-6,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Siberian Branch of the Russian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant Tdp1 (unknown origin) using 5'-(5,6 FAM-AAC GTC AGG GTC TTC C-BHQ1)-3' as substrate measured every 1 min by fluorescence an...


Bioorg Med Chem 24: 5573-5581 (2016)


Article DOI: 10.1016/j.bmc.2016.09.016
BindingDB Entry DOI: 10.7270/Q21R6SGK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%