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PubMed code 25909279

Compile data set for download or QSAR
Found 5 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 (TDP1)


(Homo sapiens (Human))
BDBM50388544
PNG
(CHEMBL2057323)
Show SMILES O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNCCCNCCCn1c2-c3ccccc3C(=O)c2c2ccccc2c1=O
Show InChI InChI=1S/C41H36N4O4/c46-38-30-16-5-3-14-28(30)36-34(38)26-12-1-7-18-32(26)40(48)44(36)24-10-22-42-20-9-21-43-23-11-25-45-37-29-15-4-6-17-31(29)39(47)35(37)27-13-2-8-19-33(27)41(45)49/h1-8,12-19,42-43H,9-11,20-25H2
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UniChem

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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by ...


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
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Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by ...


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50090918
PNG
(CHEMBL3581877)
Show SMILES CN(C)CCCn1c2-c3ccccc3C(=O)c2c2ccncc2c1=O
Show InChI InChI=1S/C20H19N3O2/c1-22(2)10-5-11-23-18-14-6-3-4-7-15(14)19(24)17(18)13-8-9-21-12-16(13)20(23)25/h3-4,6-9,12H,5,10-11H2,1-2H3
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPD2 activity using 5'phosphotyrosine-containing 19-mer single-stranded oligonucleotide DNA substrate by PAGE assay


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 1 (TDP1)


(Homo sapiens (Human))
BDBM50090917
PNG
(CHEMBL3581863)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(I)cc2c1=O
Show InChI InChI=1S/C19H14INO4/c20-10-5-6-12-15(7-10)19(25)21(8-11(23)9-22)17-13-3-1-2-4-14(13)18(24)16(12)17/h1-7,11,22-23H,8-9H2/t11-/m0/s1
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Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant TPD1 (unknown origin) activity using 3'-phosphotyrosine-containing 5'-[32P]-labeled single-stranded DNA oligonucleotide by ...


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50090917
PNG
(CHEMBL3581863)
Show SMILES OC[C@@H](O)Cn1c2-c3ccccc3C(=O)c2c2ccc(I)cc2c1=O
Show InChI InChI=1S/C19H14INO4/c20-10-5-6-12-15(7-10)19(25)21(8-11(23)9-22)17-13-3-1-2-4-14(13)18(24)16(12)17/h1-7,11,22-23H,8-9H2/t11-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TPD2 activity using 5'phosphotyrosine-containing 19-mer single-stranded oligonucleotide DNA substrate by PAGE assay


J Med Chem 58: 3997-4015 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00303
BindingDB Entry DOI: 10.7270/Q2DN46S6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%