BDBM50078163 CHEMBL3417704

SMILES CN(C)S(=O)(=O)N1CCN(CC1)c1ccc(OCc2c(c(C)nn2C)-c2cccc3c(CCCOc4cccc5ccccc45)c(C(O)=O)n(CCN4CCOCC4)c23)cc1

InChI Key InChIKey=XMVAWGSQPHFXKU-UHFFFAOYSA-N

Data  9 KI  2 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50078163   

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

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  0.450nMAssay Description:Binding affinity to GST-tagged MCL-1 (unknown origin) incubated for 60 mins by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  0.450nMAssay Description:Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  0.450nMAssay Description:Inhibition of GST-tagged MCl-1 (unknown origin) after 60 mins by TR-FRET-binding affinity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi: <1nMAssay Description:Binding affinity to full length human MCL1 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  4.70nMAssay Description:Displacement of Flu-BID/FAM-BID from His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells incubated...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  6nMAssay Description:Inhibition of FITC-labeled Bak BH3 peptide binding to GST-tagged MCL1 (171 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3)...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi:  7.90nMAssay Description:Displacement of F-Bak (GQVGRQLAIIGDK(6-FAM)INR-amide) from MCL1 (unknown origin) after 1 hr by TR-FRET assay in presence of 10% human serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi: >660nMAssay Description:Binding affinity to BCL-XL (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKi: >660nMAssay Description:Binding affinity to BCL-2 (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataIC50:  8.80nMAssay Description:Inhibition of N-terminal biotin-labeled BIM BH3 peptide (141 to 166 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataKd:  19nMAssay Description:Binding affinity to His-tagged biotinylated human MCL1 by surface plasmon resonance methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM50078163(CHEMBL3417704)
Affinity DataIC50:  13nMAssay Description:Inhibition of biotinylated Bim peptide (81 to 106 residues) binding to His-tagged Mcl-1 (171 to 327 residues) (unknown origin) expressed in Escherich...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed