BDBM72250 2-N-(3-chloro-4-methylphenyl)-4-N-methyl-5-nitropyrimidine-2,4,6-triamine::MLS000723368::N2-(3-chloranyl-4-methyl-phenyl)-N4-methyl-5-nitro-pyrimidine-2,4,6-triamine::N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine::SMR000236504::[6-amino-2-(3-chloro-4-methyl-anilino)-5-nitro-pyrimidin-4-yl]-methyl-amine::cid_4089250

SMILES CNc1nc(Nc2ccc(C)c(Cl)c2)nc(N)c1[N+]([O-])=O

InChI Key InChIKey=XQQZFOLGPKGQRT-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 = 72250   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72250BDBM72250(US20250368634, Example 80)
Affinity DataIC50: 44.3nMAssay 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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Date in BDB:
4/15/2026
Entry Details US Patent