BDBM50010462 CHEBI:78825::CHEMBL3264002::US11147816, RO5126766-(CH5126766)::US11701360, R05126766::US11964950, Compound Ref-5::US20230270730, Compound ref-5::US20230382863, Compound avutometinib::US20240327355, Compound ref-5

SMILES CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC

InChI Key InChIKey=LMMJFBMMJUMSJS-UHFFFAOYSA-N

Data  17 IC50  1 Kd

PDB links: 3 PDB IDs match 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 18 hits for monomerid = 50010462   

LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 160nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 11nMAssay Description:The BRAF-inhibiting activity of the compounds listed in Table 6 below was evaluated by the time-resolved fluorescence-fluorescence resonance energy t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/3/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase 1(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 292nMAssay Description:The MEK1-inhibiting activity of the compounds listed in Table 6 below were evaluated by the fluorescent polarization method as described below. The t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/3/2025
Entry Details
Go to US Patent

TargetSerine/threonine-protein kinase B-raf(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 11nMAssay Description:The BRAF-inhibiting activity of the compounds listed in Table 3 below was evaluated by the time-resolved fluorescence-fluorescence resonance energy t...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase 1(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 292nMAssay Description:The MEK1-inhibiting activity of the compounds listed in Table 3 below were evaluated by the fluorescent polarization method as described below.The te...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2024
Entry Details
Go to US Patent

LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 160nMAssay Description:Inhibition of MEK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 8.20nMAssay Description:Inhibition of human BRAF V600E mutant using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 19nMAssay Description:Inhibition of wild type human BRAF using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 56nMAssay Description:Inhibition of human CRAF using 5-Fl-SGQLIDSMANSFV-NH2 peptide as substrate by FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/18/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataKd:  2.22nMAssay Description:Table 11: The experiments were performed on Biacore S200 (Cytiva). Biotinylated, unphosphorylated MEK1 was diluted to 0.1 uM by SPR buffer C (20 mM T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/19/2024
Entry Details
Go to US Patent

LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 160nMAssay Description:The IC50 for MEK1 and 2 can be measured by methods in references such as [Yamaguchi et al. (2011) International Journal of Oncology 39:23-31].More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2022
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetSerine/threonine-protein kinase B-raf(Human)
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 11nMAssay Description:The test compound, BRAF (Eurofins Genomics KK.) and MEK1 (Thermo Fisher Scientific Inc.) were mixed in ATP-containing buffer and reacted for 90 minut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 292nMAssay Description:The test compound, CRAF (Thermo Fisher Scientific Inc.), MEK1 (Thermo Fisher Scientific Inc.) and ERK2 (Carna Biosciences, Inc.) were mixed in ATP-co...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2023
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetRAF proto-oncogene serine/threonine-protein kinase(Human)
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 56nMAssay Description:Inhibition of truncated active C-Raf (unknown origin) assessed as MEK1 phosphorylation using inactive MEK1 K97R as substrate after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate measured after 30 mins preincubation by LC-MS/MS analysis in absence of N...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEMBL3264002 | CHEBI:78825 | US11147816, RO512676...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate measured after 30 mins preincubation by LC-MS/MS analysis in presence of...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed