BDBM77569 8-Ethyl-5-oxo-2-[4-(2-trifluoromethyl-phenylthiocarbamoyl)-piperazin-1-yl]-5,8-dihydro-pyrido[2,3-d]pyri midine-6-carboxylic acid::8-ethyl-5-keto-2-[4-[[2-(trifluoromethyl)phenyl]thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-carboxylic acid::8-ethyl-5-oxidanylidene-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid::8-ethyl-5-oxo-2-[4-[[2-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-carboxylic acid::8-ethyl-5-oxo-2-[4-[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]-1-piperazinyl]-6-pyrido[2,3-d]pyrimidinecarboxylic acid::MLS000777924::SMR000414318::cid_1045135

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

InChI Key InChIKey=ZGGMATOKRDGWJQ-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 77569   

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 77569BDBM77569(US20250387379, Compound 4.015)
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