BDBM72209 4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]butanamide::4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]butanamide::4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide::MLS000580654::N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)butanamide::N-[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butyramide::SMR000204817::cid_12004987

SMILES C[C@@H](NC(=O)c1cc(N2CCOCC2)c(F)cc1N[C@@H]1CN2CCC1CC2)c1cccc(C(C)(F)F)c1F

InChI Key InChIKey=RJMXWVXZCFJHCM-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 = 72209   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72209BDBM72209(N—((R)-1-(3-(1,1-difluoroethyl)-2-fluorophenyl)eth...)
Affinity DataIC50: 49.5nMAssay 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