BDBM50041679 CHEMBL3358892

SMILES C[C@@H]1CN(C(=O)c2cccc(c2O[C@@H]1CN(C)C(=O)Nc3ccc(cc3)C(F)(F)F)NS(=O)(=O)c4ccc(cc4)F)[C@@H](C)C(=O)O

InChI Key InChIKey=XAEPMFMCFFIZDH-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50041679   

LigandPNGBDBM50041679(CHEMBL3358892)
Affinity DataKd:  1.90E+3nMAssay Description:Binding affinity to human MCL1 (173 to 329 aa) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50041679(CHEMBL3358892)
Affinity DataKd:  6.00E+3nMAssay Description:Binding affinity to human MCL1 (173 to 329 aa) by 19F NMR spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50041679(CHEMBL3358892)
Affinity DataIC50: 4.50E+3nMAssay Description:Binding affinity to human MCL1 (173 to 329 aa) using TAMRA-labeled Noxa peptide preincubated for 30 mins by fluorescent polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/18/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)