BDBM50581350 CHEMBL5079948

SMILES CN1CCN(CCOc2ccc(-c3c(sc4cccc(OC(Cc5ccccc5OCc5ccnn5CC(F)(F)F)C(O)=O)c34)-c3ccc(F)o3)c(C)c2Cl)CC1

InChI Key InChIKey=XGGWJXPXXLTKDO-UHFFFAOYSA-N

Data  3 KI

  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 = 50581350   

LigandPNGBDBM50581350(CHEMBL5079948)
Affinity DataKi: <1.20nMAssay Description:Binding affinity to full length human MCL1 (173 to 321 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50581350(CHEMBL5079948)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human Bcl-2 assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polarizat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50581350(CHEMBL5079948)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity to human Bcl-xl assessed as inhibition constant incubated for 2 hrs in presence of fluorescein-PUMA peptide by fluorescence polariza...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed