BDBM50466708 CHEMBL4277845

SMILES CCCc1nn(c2OC(N)=C(C#N)C(c12)c1cc(OC)c(O)c(c1)[N+]([O-])=O)-c1ccccc1F

InChI Key InChIKey=KTSKGGBIFOAVNU-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50466708   

TargetAldo-keto reductase family 1 member C1(Human)
Guangzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50466708(CHEMBL4277845)
Affinity DataIC50: 1.27E+3nMAssay Description:Inhibition of recombinant human AKR1C1 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member C3(Human)
Guangzhou Medical University

Curated by ChEMBL
LigandPNGBDBM50466708(CHEMBL4277845)
Affinity DataIC50: 683nMAssay Description:Inhibition of recombinant human AKR1C3 expressed in Escherichia coli BL21 cells in presence of 9,10-phenanthrenequinone and NADPH by fluorescence ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed