BDBM50618681 CHEMBL5399752

SMILES [H][C@@]12CC[C@]3(C)C(=CC[C@@]3(C)[C@H](C)Cc3cc(co3)C(O)=O)C1=CC[C@@]1([H])C(C)(C)[C@@H](CC[C@]21C)OC(C)=O

InChI Key InChIKey=BFVIRAAXLGPRMK-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 = 50618681   

TargetATP-citrate synthase(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50618681(CHEMBL5399752)
Affinity DataIC50: 5.70E+3nMAssay Description:Inhibition of ACL (unknown origin) incubated for 30 mins in presence of ATP by ADP-Glo kinase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetAcetyl-CoA carboxylase 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50618681(CHEMBL5399752)
Affinity DataIC50: 1.02E+4nMAssay Description:Inhibition of ACC1 (unknown origin) preincubated for 30 mins followed by ATP addition measured for 60 mins by ADP-Glo luminescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed