BDBM50617189 CHEMBL5423591

SMILES [H][C@@]1(CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1([H])CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](C)CC(=O)[C@@]1([H])[C@@]2([H])C[C@]3([H])[C@@]4(C)CCC[C@@](C)(C(O)=O)[C@]4([H])CC[C@@]3(C=C2C(C)C)[C@]1(C)C(O)=O

InChI Key InChIKey=KZFSXOVIJPLUJD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50617189   

TargetATP-citrate synthase(Human)
Taizhou University

Curated by ChEMBL
LigandPNGBDBM50617189(CHEMBL5423591)
Affinity DataIC50: 6.20E+3nMAssay 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