BDBM50424726 CHEMBL2314176::US10093640, Example 6::US10844032, Example 6

SMILES Cc1cc(OCCCc2c(sc3cc(Cl)ccc23)C(O)=O)cc(C)c1Cl

InChI Key InChIKey=LDHKTVULLKPADL-UHFFFAOYSA-N

Data  7 KI  4 IC50

  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 11 hits for monomerid = 50424726   

TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [172-327](Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  200nMAssay Description:The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1 [172-327](Homo sapiens (Human))
Vanderbilt University

US Patent
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  210nMAssay Description:The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  250nMAssay Description:Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence p...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  800nMAssay Description:Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetApoptosis regulator Bcl-2(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  990nMAssay Description:The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetIsoform Bcl-X(L) of Bcl-2-like protein 1 (Bcl-xL) -44,87-209](Human)
Vanderbilt University

US Patent
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  2.40E+3nMAssay Description:The assay was run using a fluorescein isothiocyanate-labeled BH3 peptide derived from Bak (FITC-AHx-GQVGRQLAIIGDDINR-NH2) that was purchased from Gen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetBcl-2-like protein 1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataKi:  4.10E+3nMAssay Description:Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBcl-2-like protein 1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataIC50:  2.40E+3nMpH: 7.5 T: 2°CAssay 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 DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataIC50:  210nMpH: 7.5 T: 2°CAssay 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 DepthDetails US Patent
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Homo sapiens (Human))
Vanderbilt University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataIC50:  200nMpH: 7.5 T: 2°CAssay 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 DepthDetails US Patent
TargetBcl2-associated agonist of cell death(Homo sapiens (Human))
Novartis

US Patent
LigandPNGBDBM50424726(CHEMBL2314176 | US10093640, Example 6 | US10844032...)
Affinity DataIC50:  990nMpH: 7.5 T: 2°CAssay 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 DepthDetails US Patent