BDBM313854 US10167293, Example 46

SMILES [O-][N+](=O)c1ccccc1S(=O)(=O)N1C2CCC1CN(C2)C(=O)c1cnn[nH]1

InChI Key

Data  1 IC50

  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 = 313854   

TargetAldo-keto reductase family 1 member C3(Homo sapiens (Human))
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US Patent
LigandPNGBDBM313854(US10167293, Example 46)
Affinity DataIC50:  0.900nMAssay Description:The enzyme used was recombinant human AKR1C3 (Aldo-keto reductase family 1 member C3; GenBank Accession No. NM_003739). This was expressed in E. coli...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent