BDBM50086698 CHEMBL3426319

SMILES c1ccc2c(c1)cccc2OCCCc3c4cccc5c4n(c3C(=O)O)CCC5

InChI Key InChIKey=XOMAOOTVWOCYAD-UHFFFAOYSA-N

Data  3 KI

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50086698   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50086698(CHEMBL3426319)
Affinity DataKi:  310nMAssay Description:Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetApoptosis regulator Bcl-2(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50086698(CHEMBL3426319)
Affinity DataKi:  7.30E+3nMAssay Description:Displacement of FITC-Bak-BH3 peptide from Bcl-2 (unknown origin) incubated for 1.5 hrs by FPA competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50086698(CHEMBL3426319)
Affinity DataKi: >2.00E+4nMAssay Description:Displacement of FITC-Bak-BH3 peptide from Bcl-xL (unknown origin) incubated for 1.5 hrs by FPA competition assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2016
Entry Details Article
PubMed