BDBM72226 2-furancarboxylic acid [4-[[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]hydrazinylidene]methyl]phenyl] ester::Furan-2-carboxylic acid 4-{[7-(4-fluoro-benzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-hydrazonomethyl}-phenyl ester::MLS000588026::SMR000220076::[4-[[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate::[4-[[[7-[(4-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate::cid_1389139::furan-2-carboxylic acid [4-[[[7-(4-fluorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]hydrazono]methyl]phenyl] ester

SMILES Cn1c2nc(N=NCc3ccc(OC(=O)c4ccco4)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O

InChI Key InChIKey=WKVSRPDERLXRGF-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 = 72226   

TargetGTPase KRas [1-169,G12C](Human)
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US Patent
LigandChemical structure of BindingDB Monomer ID 72226BDBM72226(N-((R)-1-(3-(difluoromethyl)-2-fluorophenyl)ethyl)...)
Affinity DataIC50: 7.90nMAssay 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
Target InfoKEGG
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In Depth
Date in BDB:
4/15/2026
Entry Details US Patent