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BDBM50179184 CHEMBL264425

SMILES: OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1

InChI Key: InChIKey=GUTXMPQWQSOAIY-UHFFFAOYSA-N

Data: 4 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50179184   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosyl-DNA phosphodiesterase 1


(Homo sapiens (Human))
BDBM50179184
PNG
(CHEMBL264425)
Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/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)
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Article
PubMed
n/an/a>1.11E+5n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TDP1 using 5'-[32P]-labeled N14Y as substrate after 15 mins by PAGE method


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


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Homo sapiens (Human))
BDBM50179184
PNG
(CHEMBL264425)
Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/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)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
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=1S/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)
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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)


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair
Tyrosyl-DNA phosphodiesterase 2


(Danio rerio)
BDBM50179184
PNG
(CHEMBL264425)
Show SMILES OC(=O)C(CSSCC(NC(=O)c1ccccc1)C(O)=O)NC(=O)c1ccccc1
Show InChI InChI=1S/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)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Georgia State University

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.bmcl.2016.05.065
BindingDB Entry DOI: 10.7270/Q22809HF
More data for this
Ligand-Target Pair