BDBM77585 MLS001101303::N-(1H-benzimidazol-2-ylmethyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide::N-(1H-benzimidazol-2-ylmethyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-3-isoxazolecarboxamide::N-(1H-benzimidazol-2-ylmethyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-isoxazole-3-carboxamide::SMR000658162::cid_24791257

SMILES O=C1CCCc2c1sc(Nc1ccc(I)cc1F)c2C(=O)NC[C@H](O)CO

InChI Key InChIKey=YMMCWBBETZGDKT-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 1 hit for monomerid = 77585   

TargetMitogen-activated protein kinase kinase kinase 1(Human)
Nflection Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 77585BDBM77585(US20250387379, Compound 4.034)
Affinity DataIC50: 150nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent