BDBM50617187 CHEMBL5439649

SMILES C=C1CC[C@@](C)([C@H](C)CC(=O)[C@H]2[C@H]3C[C@@H]4[C@@]5(C)CCC[C@@](C)(C(=O)O)[C@@H]5CC[C@]45C(OC(=O)[C@]25C)C3=C(C)C)[C@@]12CCC1=C2CC[C@H]2C(C)(C)C(=O)CC[C@]12C

InChI Key InChIKey=HPMSQLRXMMECHS-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 = 50617187   

TargetATP-citrate synthase(Human)
Taizhou University

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50617187BDBM50617187(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