BDBM79923 MLS001167117::N-[4-(dimethylamino)phenyl]-2-quinolinecarbothioamide::N-[4-(dimethylamino)phenyl]quinoline-2-carbothioamide::N-[4-(dimethylamino)phenyl]thioquinaldamide::SMR000641080::cid_797253

SMILES CN1CCC(c2ccc(-c3ccc4c(c3F)C(=O)N(C(C(=O)Nc3nccs3)c3ccccc3)CO4)cc2)CC1

InChI Key InChIKey=XJQQBZIYKWJZDB-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:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 79923   

TargetEpidermal growth factor receptor [T790M,L858R](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79923BDBM79923(US20250388573, Compound 005)
Affinity DataIC50: 1nMAssay 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

TargetEpidermal growth factor receptor [L858R](Human)
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandChemical structure of BindingDB Monomer ID 79923BDBM79923(US20250388573, Compound 005)
Affinity DataIC50: 3.70nMAssay 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