BDBM72190 1-[3-(2-nitrophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone::1-[5-(2-Nitro-phenyl)-3-phenyl-4,5-dihydro-pyrazol-1-yl]-ethanone::1-[5-(2-nitrophenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone::MLS000559425::SMR000174161::cid_2829371

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

InChI Key InChIKey=LASNDSHWBVPSLM-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 = 72190   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72190BDBM72190(US20250368634, Example 25)
Affinity DataIC50: 7.40nMAssay 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