BDBM592184 US11572344, Compound 1.012::US11572344, Example 12

SMILES Fc1cc(I)ccc1Nc1cc(ccc1C(=O)NOCC1CC1)C#N

InChI Key InChIKey=OJGXFEANLCFNGI-UHFFFAOYSA-N

Data  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 592184   

TargetMitogen-activated protein kinase kinase kinase 1(Human)
Vanderbilt Screening Center For Gpcrs, Ion Channels and Transporters

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 592184BDBM592184(US11572344, Example 12 | US11572344, Compound 1.01...)
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
In Depth
Date in BDB:
5/6/2026
Entry Details
US Patent

TargetDual specificity mitogen-activated protein kinase kinase 1(Human)
Nflection Therapeutics

US Patent
LigandChemical structure of BindingDB Monomer ID 592184BDBM592184(US11572344, Example 12 | US11572344, Compound 1.01...)
Affinity DataIC50: 825nMAssay Description:Reaction buffer: 20mM Hepes (pH 7.5), 10mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02mg/mL BSA, 0.1 mM, Na3VO4, 2mM DTT, 1% DMSO Enzyme: MEK1, Invitrogen c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2023
Entry Details
US Patent