BDBM50545024 CHEMBL4645447

SMILES CN(C)CCN1CC2(CCOCC2)c2ccc(Nc3ccc(-c4cnc5cc(F)ccn45)c4c3C(=O)NC4)nc21

InChI Key InChIKey=KEGXJTSISFZBCK-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50545024   

TargetMitogen-activated protein kinase kinase kinase kinase 1(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50545024BDBM50545024(CHEMBL6078212)
Affinity DataIC50: 7.5nMAssay Description:Antagonist activity at human alpha1B adrenoceptor assessed as inhibition of norepinephrine-induced increase of intracellular calcium level by cell ba...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details PubMed
TargetMitogen-activated protein kinase kinase kinase kinase 3(Human)
Insilico Medicine Shanghai Ltd

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50545024BDBM50545024(CHEMBL6078212)
Affinity DataIC50: 331nMAssay Description:Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details PubMed