BDBM50244111 CHEMBL4082389::US10533010, Example I-39::US11208415, Example I-39

SMILES Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c(c3[nH]c2C(=O)Nc4cccc(c4)C(=O)O)c5c(nn(c5C)C)C)Cl

InChI Key InChIKey=ODMWLLDLJAHWIY-UHFFFAOYSA-N

Data  13 KI

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50244111   

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

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  7.20nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  7.20nMAssay 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
Go to US Patent
PDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  23nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  23nMAssay Description:Inhibition of His6-tagged MCL1 (unknown origin) incubated for 0.5 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  23nMAssay Description:Inhibition of FITC-labelled BAK peptide binding to human MBP-fused Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21 CodonPlus (DE3) RIL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
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
Go to US Patent
PDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
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
Go to US Patent
PDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  108nMAssay 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
PubMedPDB3D3D Structure (crystal)
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  108nMAssay Description:Inhibition of His6-tagged MCL1 (unknown origin) incubated for 0.5 hrs in presence of 1% FBS by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetApoptosis regulator Bcl-2(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  1.54E+3nMAssay 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
Go to US Patent

TargetApoptosis regulator Bcl-2(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  1.54E+3nMAssay 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
Go to US Patent

TargetBcl-2-like protein 1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  4.59E+3nMAssay 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
Go to US Patent

TargetBcl-2-like protein 1(Human)
Vanderbilt University

US Patent
LigandPNGBDBM50244111(CHEMBL4082389 | US10533010, Example I-39 | US11208...)
Affinity DataKi:  4.59E+3nMAssay 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
Go to US Patent