BDBM50179360 CHEMBL3040216

SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O

InChI Key InChIKey=VTCUUTNDNRAQSK-NCNWUEASSA-N

Data  6 KI  83 IC50  3 Kd  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50179360   

TargetTyrosyl-DNA phosphodiesterase 1(Homo sapiens (Human))
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of recombinant TDP1 (unknown origin) using 5'-32P-labeled N14Y DNA substrate incubated for 20 mins by PAGE analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosyl-DNA phosphodiesterase 2(Homo sapiens (Human))
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataEC50:  2.40E+4nMAssay Description:Inhibition of human N-terminal His-tagged TDP2 expressed in Escherichia coli JM109(DE3) using 5'-Y-TCCGTTGAAGCCTGCTTT-3' as substrate incubated for 6...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTyrosyl-DNA phosphodiesterase 1(Homo sapiens (Human))
Russian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50179360(CHEMBL3040216)
Affinity DataIC50:  5.00E+3nMAssay Description:Inhibition of recombinant TDP1 (unknown origin) expressed in Escherichia coli Rosetta2(DE3) using 3'-FITC labeled 13-mer DNA as substrate by Gyrasol ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed