BDBM50558857 CHEMBL4752520

SMILES C=CC(=O)NCC1NC(=O)[C@@H](NC(C)=O)CCCCNC(=O)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]2(C)CCC/C=C/CCC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC2=O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)CC)NC1=O

InChI Key InChIKey=RDEHKRNADKDMAL-UHFFFAOYSA-N

Data  1 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50558857   

TargetBcl-2-related protein A1(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50558857BDBM50558857(CHEMBL4752520)
Affinity DataIC50: 20nMAssay Description:Binding affinity to human Bcl2A1 incubated for 2 hrs by FBid based competitive FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetBcl-2-related protein A1(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50558857BDBM50558857(CHEMBL4752520)
Affinity DataKi:  47nMAssay Description:Covalent binding affinity to human Bcl2A1 by FBid based FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
The University of Queensland

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50558857BDBM50558857(CHEMBL4752520)
Affinity DataIC50: 108nMAssay Description:Binding affinity to human Mcl1 incubated for 2 hrs by FBid based competitive FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed