BDBM50359037 CHEMBL602899

SMILES C[C@H](CC(=O)C[C@@H](C)C(O)=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C(=O)C[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]3O

InChI Key InChIKey=DYOKDAQBNHPJFD-UHFFFAOYSA-N

Data  1 IC50  2 Kd

  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 3 hits for monomerid = 50359037   

TargetTumor necrosis factor(Human)
The Second People'S Hospital of Fujian Provinc

Curated by ChEMBL
LigandPNGBDBM50359037(CHEMBL602899)
Affinity DataKd:  8nMAssay Description:Binding affinity to TNF-alpha (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/12/2015
Entry Details Article
PubMed
TargetAldo-keto reductase family 1 member B1(Human)
Sepuluh Nopember Institute of Technology

Curated by ChEMBL
LigandPNGBDBM50359037(CHEMBL602899)
Affinity DataIC50: 1.94E+5nMAssay Description:Inhibition of recombinant human aldose reductase using dl-glyceraldehyde as substrate after 10 mins by spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Chinese Academy of Medical Sciences and Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM50359037(CHEMBL602899)
Affinity DataKd:  1.27E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed