BDBM50514200 CHEMBL4446378::US10703733, Comparative Example 1

SMILES C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2C[N@@]3C[C@@]4(CCCc5c4ccc(c5)Cl)COc6c3cc(cc6)C(=O)NS(=O)(=O)[C@@H]1C)OC

InChI Key InChIKey=JQNINBDKGLWYMU-UHFFFAOYSA-N

Data  9 KI  4 IC50

PDB links: 1 PDB ID matches this monomer.

  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 13 hits for monomerid = 50514200   

TargetApoptosis regulator Bcl-2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataIC50: 1.93E+3nMAssay Description:Inhibition of recombinant C-terminal His10x-tagged human Bcl-2 (2 to 211 residues) expressed in Escherichia coli cells interaction with biotinylated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataIC50: 1.42E+3nMAssay Description:Inhibition of recombinant C-terminal His6x-tagged human Bcl-xL (1 to 196 residues) expressed in Escherichia coli cells interaction with biotinylated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMed
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataIC50: 0.5nMAssay Description:The AlphaLISA assay was performed in a 384-well Proxiplate in a total volume of 40 μL. The reaction mixture contained 0.0625 nM 6×His-Mcl-1 (171...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/8/2021
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to 6XHis-tagged human MCl-1 (171 to 327 residues) expressed in Escherichia coli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  0.0600nMAssay Description:Inhibition of recombinant His6-tagged human MCL1 (171 to 327 residues) expressed in Escherichia coli and biotinylated Bim BH3 peptide interaction usi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetG1/S-specific cyclin-D1(Human)
Technical University of Darmstadt

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMed
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  0.0760nMAssay Description:Inhibition of recombinant C-terminal His6x-tagged human Mcl-1 (171 to 327 residues) interaction with biotinylated human Bim (51 to 76 residues) incub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  60nMAssay Description:Binding affinity to Mcl-1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetBcl-2-like protein 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  700nMAssay Description:Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to Bcl-xL (unknown origin) after 120 mins by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetBcl-2-like protein 1(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  700nMAssay Description:Inhibition of recombinant His6-tagged human Bcl-xL (1 to 196 residues) expressed in Escherichia coli using biotinylated Bim BH3 peptide as substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetApoptosis regulator Bcl-2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  950nMAssay Description:Inhibition of human Biotin-DMRPEIWIAQELRRIGDEFNAYYARR peptide binding to recombinant 10His-tagged human Bcl2 (2 to 211 residues) expressed in Escheri...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50514200(US10703733, Comparative Example 1 | CHEMBL4446378)
Affinity DataKi:  950nMAssay Description:Inhibition of recombinant His10-tagged human Bcl-2 (2 to 211 residues) using biotinylated Bim BH3 peptide as substrate incubated for 60 mins by TR-FR...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed