BDBM50514196 CHEMBL4476472

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

InChI Key InChIKey=VRSBISSEYLZZBN-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50514196   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Amgen

Curated by ChEMBL

LigandBDBM50514196(CHEMBL4476472)Copy SMILESCopy InChI

Affinity DataKi:  0.0500nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
6/18/2023
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Amgen

Curated by ChEMBL

LigandBDBM50514196(CHEMBL4476472)Copy SMILESCopy InChI

Affinity DataKi:  0.0510nMAssay 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

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
2/21/2021
Entry Details Article
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL