BDBM50244168 CHEMBL4073496::US10533010, Example I-239::US11208415, Example I-239::US11596639, Example 440

SMILES Cc1nn(C)c(C)c1-c1c(Cl)ccc2c(CCCOc3cc(C)c(Cl)c(C)c3)c3C(=O)N(CCCn3c12)c1cc(C(O)=O)c2ccn(C)c2c1

InChI Key InChIKey=OTFAIFQJDQCNJT-UHFFFAOYSA-N

Data  13 KI

  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 13 hits for monomerid = 50244168   

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

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  0.700nMAssay Description:Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi: <1nMAssay Description:Inhibition of FITC-labeled BH3 peptide binding to human MCL1 expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi: <1nMAssay Description:Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  1.60nMAssay Description:Fluorescence Polarization Anisotropy Competition Assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2023
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  2.30nMAssay Description:Inhibition of FITC-Bak-BH3/FITC-Bim-BH3 binding to MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  2.5nMAssay Description:Fluorescence Polarization Anisotropy Competition Assay. Anisotropy measurements were carried out in 384-well, black, flat-bottom plates (Greiner Bio-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2023
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  2.80nMAssay Description:Inhibition of FITC-Bak-BH3 binding to MBP-fused MCL1 (172 to 327 residues) (unknown origin) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL af...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi: <50nMAssay Description:Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2020
Entry Details
US Patent

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

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi: <50nMAssay Description:Compound affinity was measured using a fluorescence polarization anisotropy competition assay. Anisotropy measurements were carried out in 384-well, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/3/2022
Entry Details
US Patent

TargetApoptosis regulator Bcl-2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  576nMAssay Description:Inhibition of FITC-labeled BH3 peptide binding to Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  580nMAssay Description:Inhibition of FITC-Bak-BH3 binding to Bcl2 (unknown origin) after 1.5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of FITC-labeled BH3 peptide binding to Bcl-xl (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 0.5 hrs by TR-FRET a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/5/2023
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
Fudan University

Curated by ChEMBL
LigandPNGBDBM50244168(CHEMBL4073496 | US10533010, Example I-239 | US1120...)
Affinity DataKi:  1.90E+4nMAssay Description:Inhibition of FITC-Bak-BH3 binding to Bcl-XL (unknown origin) after 1.5 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/21/2019
Entry Details Article
PubMed