BDBM50519618 CHEMBL4465718

SMILES C[C@@H]1CCCC[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS1(=O)=O)O

InChI Key InChIKey=BNATWTSFOSDXBZ-UHFFFAOYSA-N

Data  4 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50519618   

LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of recombinant His6-tagged human MCL1 (171 to 327 residues) expressed in Escherichia coli and biotinylated Bim BH3 peptide interaction usi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of TAMRA-labeled BIM-BH3 peptide binding to 6His-tagged human recombinant Mcl-1 (171 to 327 residues) incubated for 120 mins by fluorescen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetG1/S-specific cyclin-D1(Human)
Technical University of Darmstadt

Curated by ChEMBL
LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataKi:  0.0700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataKi:  0.140nMAssay Description:Inhibition of TAMRA-labeled BIM BH3 peptide binding to human Mcl1 (171 to 327 residues) incubated for 120 mins by fluorescence polarizationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataKi:  0.140nMAssay Description:Binding affinity to Mcl-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50519618(CHEMBL4465718)
Affinity DataKi:  0.200nMAssay Description:Inhibition of recombinant His6-tagged human MCL1 (171 to 327 residues) expressed in Escherichia coli and biotinylated Bim BH3 peptide interaction usi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)