BDBM162123 US9051279, 106

SMILES CC(C)Oc1cc2c(cc1OC)CC(=O)N([C@H]2c3ccc(cc3)Cl)c4ccc(cc4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C

InChI Key InChIKey=CLRSLRWKONPSRQ-UHFFFAOYSA-N

Data  3 KI  13 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 162123   

TargetApoptosis regulator Bcl-2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Bcl2 (unknown origin) assessed as inhibition of Bcl2-Bak interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetProtein Mdm4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human MDM4 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of human MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of p53 derived Cy5-p53 peptide (18 to 26 residues) binding to human MDM2 (2 to 188 residues) after 30 mins by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/21/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBaculoviral IAP repeat-containing protein 2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of cIAP (unknown origin) assessed as inhibition of cIAP-BIR3 interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase XIAP(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of XIAP (unknown origin) assessed as inhibition of XIAP-BIR3 interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Mcl1 (unknown origin) assessed as inhibition of Mcl1-Noxa interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetInduced myeloid leukemia cell differentiation protein Mcl-1(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Mcl1 (unknown origin) assessed as inhibition of Mcl1-Bak interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetApoptosis regulator Bcl-2(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of Bcl2 (unknown origin) assessed as inhibition of Bcl2-Bad interaction by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 0.800nMAssay Description:The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2016
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase Mdm2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataKd:  2.30nMAssay Description:Inhibition of human MDM2 L33E mutant (14 to 111 residues) by ITC methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProtein Mdm4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of human MDM4 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 1.70E+4nMAssay Description:Time dependent inhibition of CYP3A4 in human liver microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMed
TargetProtein Mdm4(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataIC50: 2.10E+3nMAssay Description:The inhibition of p53-Hdm2 and p53-Hdm4 interactions is measured by time resolved fluorescence energy transfer (TR-FRET). Fluorescence energy transfe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/25/2016
Entry Details
Go to US Patent

TargetE3 ubiquitin-protein ligase Mdm2(Human)
Shanghai Institute of Materia Medica

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataKi:  1.30nMAssay Description:Inhibition of human MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase Mdm2(Dog)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataKi:  21nMAssay Description:Inhibition of dog MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetE3 ubiquitin-protein ligase Mdm2(Mouse)
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM162123(US9051279, 106)
Affinity DataKi:  66nMAssay Description:Inhibition of mouse MDM2 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)