BDBM50634668 CHEMBL5505932

SMILES COc1cc2c(cc1Nc1ncc3c(N)cc(=O)n(Cc4ccccc4C(F)(F)F)c3n1)CN(C)CC2

InChI Key InChIKey=LQUUWQNDKXYUCK-UHFFFAOYSA-N

Data  6 IC50

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 6 hits for monomerid = 50634668   

TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 0.320nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 50nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 0.0800nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 3(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 0.490nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 132nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Shanghai Institute of Organic Chemistry

Curated by ChEMBL
LigandPNGBDBM50634668(CHEMBL5505932)
Affinity DataIC50: 148nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/11/2025
Entry Details
PubMedPDB3D3D Structure (crystal)