BDBM72212 (2Z)-3-{[(1Z)-(4-bromophenyl)methylene]amino}-2-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]-1,3-thiazolidin-4-one::3-[(4-bromobenzylidene)amino]-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]thiazolidin-4-one::3-[(4-bromophenyl)methylideneamino]-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1,3-thiazolidin-4-one::3-[(4-bromophenyl)methylideneamino]-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazolidin-4-one::3-[(4-bromophenyl)methylideneamino]-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-thiazolidinone::MLS000584293::SMR000203456::cid_5138242

SMILES Cc1c(C#N)cccc1[C@@H](C)NC(=O)c1cc(N2CCOCC2)c(F)cc1N[C@H]1CN2CCC1CC2

InChI Key InChIKey=HLWQDYQJBNBPCJ-UHFFFAOYSA-N

Data  1 EC50

  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 = 72212   

TargetGTPase KRas [1-169,G12C](Human)
Schrodinger

US Patent
LigandChemical structure of BindingDB Monomer ID 72212BDBM72212(N—((R)-1-(3-cyano-2-methylphenyl)ethyl)-4-fluoro-5...)
Affinity DataIC50: 69.2nMAssay Description:Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/15/2026
Entry Details
US Patent