BDBM136690 US8865686, Table 1, Compound 1

SMILES C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)C(C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O

InChI Key InChIKey=OFVLGDICTFRJMM-UHFFFAOYSA-N

Data  1 IC50

PDB links: 16 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 136690   

TargetTyrosyl-DNA phosphodiesterase 1(Human)
The United States of America, As Represented By The Secretary, Dept. of Health and Human Services

US Patent
LigandPNGBDBM136690(US8865686, Table 1, Compound 1)
Affinity DataIC50: 7.85E+5nMpH: 8.0 T: 2°CAssay Description:Assay: Unless indicated otherwise, Tdp1 assays were performed in 20 ul mixtures containing 50 mM Tris-HCl, pH 8.0, 80 mM KCl, 2 mM EDTA, 1 mM dithiot...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/6/2015
Entry Details
Go to US Patent