BDBM72222 2-[(4-chlorophenyl)hydrazinylidene]-2-[[1-(4-methylphenyl)-5-tetrazolyl]thio]acetic acid ethyl ester::2-[(4-chlorophenyl)hydrazono]-2-[[1-(p-tolyl)tetrazol-5-yl]thio]acetic acid ethyl ester::MLS000588817::SMR000212396::cid_1629331::ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetate::ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(F)cc1N[C@H]1[C@@H]2CN(C)C[C@@H]21)c1cccc(C(F)F)c1F

InChI Key InChIKey=DWCBRPLWSSTXRO-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72222   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72222BDBM72222(US20250368634, Example 55)
Affinity DataIC50: 19.8nMAssay 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