BDBM72219 1-[2-[(4-fluorophenyl)carbamoylamino]-2-keto-ethyl]triazole-4,5-dicarboxylic acid dimethyl ester::1-[2-[[(4-fluoroanilino)-oxomethyl]amino]-2-oxoethyl]triazole-4,5-dicarboxylic acid dimethyl ester::MLS000580744::SMR000206130::cid_12005437::dimethyl 1-[2-({[(4-fluorophenyl)amino]carbonyl}amino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate::dimethyl 1-[2-[(4-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl]-1,2,3-triazole-4,5-dicarboxylate::dimethyl 1-[2-[(4-fluorophenyl)carbamoylamino]-2-oxoethyl]triazole-4,5-dicarboxylate

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(F)cc1NC(C)(C)CN(C)C)c1cccc(C(F)F)c1F

InChI Key InChIKey=RRINXGCMCMQGNU-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72219   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72219BDBM72219(US20250368634, Example 52)
Affinity DataIC50: 64.8nMAssay 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