BDBM50514197 CHEMBL4561691::US11274105, Example 63

SMILES CN1C/C=C/CCCC[N@@]2C[C@@]3(CCCc4c3ccc(c4)Cl)COc5c2cc(cc5)[C@](CC1=O)(C(=O)O)O

InChI Key InChIKey=YDILMFFNALPZSF-UHFFFAOYSA-N

Data  2 KI  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50514197   

LigandPNGBDBM50514197(CHEMBL4561691 | US11274105, Example 63)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50514197(CHEMBL4561691 | US11274105, Example 63)
Affinity DataIC50: 1.74nMAssay Description:The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514197(CHEMBL4561691 | US11274105, Example 63)
Affinity DataIC50: 178nMAssay Description:For Mcl-1 TR-FRET assay with 5% human serum, the same assay condition was used except for the addition of 5% human serum (Bioreclamation, Westbury, N...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514197(CHEMBL4561691 | US11274105, Example 63)
Affinity DataKi:  0.486nMAssay Description:The inhibition of the Mcl-1/Bim interaction was measured using a time-resolved fluorescence resonance energy transfer (TR-FRET) assay. The recombinan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/5/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514197(CHEMBL4561691 | US11274105, Example 63)
Affinity DataKi:  0.5nMAssay Description:Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)