BDBM50645971 CHEMBL5592352

SMILES COc1c(OCC2CCOCC2)cc(N2C[C@@H](C)n3c(c(CCCOc4cc(C)c(Cl)c(C)c4)c4ccc(Cl)c(-c5c(C)nc(C)nc5C)c43)C2=O)c2c1cc(C(=O)O)n2C

InChI Key

  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 3 hits for monomerid = 50645971   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50645971(CHEMBL5592352)
Affinity DataKi:  86nMAssay Description:Binding affinity to His 6-fused Mcl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant incubated for 3 hrs b...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetApoptosis regulator Bcl-2(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50645971(CHEMBL5592352)
Affinity DataKi:  1.80E+3nMAssay Description:Binding affinity to Bcl-2 (unknown origin) assessed as inhibition constant by FPA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
TargetBcl-2-like protein 1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50645971(CHEMBL5592352)
Affinity DataKi:  3.60E+4nMAssay Description:Binding affinity to Bcl-XL (unknown origin) assessed as inhibition constant by FPA assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed