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

SMILES CNS(=O)(=O)Nc1nccc(Cc2c(C)c3ccc(Oc4ncccn4)cc3oc2=O)c1F

InChI Key InChIKey=LMMJFBMMJUMSJS-UHFFFAOYSA-N

Data  13 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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50010462   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails ArticlePubMed
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails ArticlePubMed
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)
Affinity DataIC50:  160nMAssay Description:Inhibition of MEK1 (unknown origin)More data for this Ligand-Target Pair
TargetDual specificity mitogen-activated protein kinase kinase 1(Homo sapiens (Human))
Chugai Seiyaku Kabushiki Kaisha

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails US Patent
TargetDual specificity mitogen-activated protein kinase kinase 1/2(Homo sapiens (Human))
Genuv

US Patent
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | US11147816, RO512676...)
Affinity DataIC50:  160nMAssay Description:TBDMore data for this Ligand-Target Pair
TargetRAF proto-oncogene serine/threonine-protein kinase(Homo sapiens (Human))
Chugai Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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 DepthDetails PubMed
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Zhengzhou University

Curated by ChEMBL
LigandPNGBDBM50010462(CHEBI:78825 | CHEMBL3264002 | 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