BDBM50617187 CHEMBL5439649

SMILES [H][C@@]12[#6][C@@]3([H])[C@]4([#6]-[#6][C@@]5([H])[C@@]([#6])([#6]-[#6]-[#6][C@]35[#6])[#6](-[#8])=O)[#6](-[#8]-[#6](=O)[C@]4([#6])[C@@]1([H])[#6](=O)-[#6]-[#6@@H](-[#6])[C@]1([#6])[#6]-[#6]-[#6](=[#6])[C@]11[#6]-[#6]-[#6]3=[#6]1-[#6]-[#6][C@@]1([H])C([#6])([#6])[#6](=O)-[#6]-[#6][C@]31[#6])\[#6]2=[#6](\[#6])-[#6]

InChI Key

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50617187   

TargetATP-citrate synthase(Human)
Taizhou University

Curated by ChEMBL
LigandPNGBDBM50617187(CHEMBL5439649)
Affinity DataIC50: 1.08E+4nMAssay Description:Inhibition of ACL (unknown origin) incubated for 30 mins in presence of ATP by luminescence based ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed