BDBM592189 US11572344, Compound 1.030

SMILES OCCONC(=O)c1ccc(C#N)c(F)c1Nc1ccc(I)cc1F

InChI Key InChIKey=HTTSGPZJJGCPGR-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:
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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 = 592189   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 592189BDBM592189(US11572344, Compound 1.030 | US20250387379, Compou...)
Affinity DataIC50: 150nMAssay 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

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 592189BDBM592189(US11572344, Compound 1.030 | US20250387379, Compou...)
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