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Found 8 hits Enz. Inhib. hit(s) with Target = 'Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)' AND taxid = 10090   
Target
(Institution)
LigandTarget
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 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50179250
PNG
(CHEMBL3813826)
Show SMILES OC(=O)C1=NN(C(=O)\C1=C/c1ccc(cc1)N(CCC#N)CCC#N)c1ccc(cc1)S(O)(=O)=O
Show InChI InChI=1S/C23H19N5O6S/c24-11-1-13-27(14-2-12-25)17-5-3-16(4-6-17)15-20-21(23(30)31)26-28(22(20)29)18-7-9-19(10-8-18)35(32,33)34/h3-10,15H,1-2,13-14H2,(H,30,31)(H,32,33,34)/b20-15-
PDB

UniProtKB/SwissProt

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MMDB
PC cid
PC sid
UniChem

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PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50438863
PNG
(10-(4-Hydroxyphenyl)-2,4-dioxo-pyrimido[4,5-b]quin...)
Show SMILES Oc1ccc(cc1)-n1c2cc(ccc2cc2c1nc(=O)[nH]c2=O)C#N
Show InChI InChI=1S/C18H10N4O3/c19-9-10-1-2-11-8-14-16(20-18(25)21-17(14)24)22(15(11)7-10)12-3-5-13(23)6-4-12/h1-8,23H,(H,21,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

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



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50438865
PNG
(2,4-Dioxo-10-phenyl-pyrimido[4,5-b]quinoline-8-car...)
Show SMILES O=c1nc2n(-c3ccccc3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C18H10N4O2/c19-10-11-6-7-12-9-14-16(20-18(24)21-17(14)23)22(15(12)8-11)13-4-2-1-3-5-13/h1-9H,(H,21,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50438882
PNG
(10-Phenylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dion...)
Show SMILES O=c1nc2n(-c3ccccc3)c3ccccc3cc2c(=O)[nH]1
Show InChI InChI=1S/C17H11N3O2/c21-16-13-10-11-6-4-5-9-14(11)20(12-7-2-1-3-8-12)15(13)18-17(22)19-16/h1-10H,(H,19,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

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



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50179183
PNG
(CHEMBL576840 | NSC-3198)
Show SMILES OC(=O)C(CSSCC(NC(=O)Cc1ccccc1)C(O)=O)NC(=O)Cc1ccccc1
Show InChI InChI=1/C22H24N2O6S2/c25-19(11-15-7-3-1-4-8-15)23-17(21(27)28)13-31-32-14-18(22(29)30)24-20(26)12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50179184
PNG
(CHEMBL264425)
Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant TDP2 using alpha32P-cordycepin-3'-labeled TY19 as substrate after 15 mins by PAGE method


Bioorg Med Chem Lett 26: 3232-3236 (2016)

More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM188529
PNG
(2,4-Dioxo-10-[3-(1H-tetrazol-5-yl)phenyl]pyrimido[...)
Show SMILES O=c1nc2n(-c3cccc(c3)-n3cnnn3)c3cc(ccc3cc2c(=O)[nH]1)C#N
Show InChI InChI=1S/C19H10N8O2/c20-9-11-4-5-12-7-15-17(22-19(29)23-18(15)28)27(16(12)6-11)14-3-1-2-13(8-14)26-10-21-24-25-26/h1-8,10H,(H,23,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


Citation and Details
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2 (mTDP2 WT)


(Mus musculus (Mouse))
BDBM50438870
PNG
(8-Chloro-10-(4-hydroxyphenyl)pyrimido[4,5-b]quinol...)
Show SMILES Oc1ccc(cc1)-n1c2cc(Cl)ccc2cc2c1nc(=O)[nH]c2=O
Show InChI InChI=1S/C17H10ClN3O3/c18-10-2-1-9-7-13-15(19-17(24)20-16(13)23)21(14(9)8-10)11-3-5-12(22)6-4-11/h1-8,22H,(H,20,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



National Institutes of Health



Assay Description
TDP2 reactions were carried out as described previously23 with the following modifications. A 18-mer single-stranded oligonucleotide DNA substrate (&...


Citation and Details
More data for this
Ligand-Target Pair