BDBM313840 US10167293, Example 33

SMILES O=C(c1cnn[nH]1)N1CC2CCC(C1)N2S(=O)(=O)c1cccc(OC(F)(F)F)c1

InChI Key InChIKey=RWFVCRBQOQHUSJ-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 = 313840   

TargetAldo-keto reductase family 1 member C3(Human)
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US Patent
LigandChemical structure of BindingDB Monomer ID 313840BDBM313840(US10167293, Example 33)
Affinity DataIC50: 1.80nMAssay 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
In Depth
Date in BDB:
4/24/2019
Entry Details
US Patent