BDBM785074 US12466818, Compound 1.014::US20250387379, Compound 4.014

SMILES CC(=O)c1sc(Nc2ccc(I)cc2F)c(C(=O)NC[C@H](O)CO)c1C

InChI Key InChIKey=BPPYLRGOGWIPQT-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 785074   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 785074BDBM785074(US12466818, Compound 1.014 | US20250387379, Compou...)
Affinity DataIC50: 825nMAssay 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
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent

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

US Patent
LigandChemical structure of BindingDB Monomer ID 785074BDBM785074(US12466818, Compound 1.014 | US20250387379, Compou...)
Affinity DataIC50: 825nMAssay Description:Reagents:Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/mL BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSOEnzyme: MEK1, I...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
3/2/2026
Entry Details
US Patent