BDBM50534263 THIOSTREPTON

SMILES [H][C@]12N=C(CC[C@@]11NC(=O)[C@H](C)NC(=O)C(=C)NC(=O)[C@H](C)NC(=O)[C@@]([H])(NC3C=Cc4c(cc(nc4[C@H]3O)C(=O)O[C@H](C)[C@]([H])(NC(=O)c3csc(n3)[C@@]([H])(NC(=O)C3CSC(=N3)\C(NC(=O)[C@@]([H])(NC(=O)c3csc1n3)[C@@H](C)O)=C\C)[C@](C)(O)[C@@H](C)O)c1nc2cs1)[C@H](C)O)[C@@H](C)CC)c1nc(cs1)C(=O)NC(=C)C(=O)NC(=C)C(N)=O

InChI Key InChIKey=NSFFHOGKXHRQEW-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50534263   

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

Curated by ChEMBL
LigandPNGBDBM50534263(THIOSTREPTON)
Affinity DataIC50: 1.80E+6nMAssay Description:Inhibition of human N-terminal His-tagged TDP1 expressed in Escherichia coli BL21 using [32P]-D14Y duplex DNA as substrate incubated for 20 mins by P...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/28/2021
Entry Details Article
PubMed