BDBM72249 2-(4-Amino-6,7,8,9-tetrahydro-pyrimido[4,5-b]quinolin-2-ylsulfanyl)-N-(4-methoxy-phenyl)-acetamide::2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide::2-[(4-amino-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio]-N-(4-methoxyphenyl)acetamide::2-[(4-azanyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide::MLS000589159::SMR000219792::cid_1980061

SMILES COc1ccc(NC(=O)CSc2nc(N)c3cc4CCCCc4nc3n2)cc1

InChI Key InChIKey=YVLYNLNFGUDAAZ-UHFFFAOYSA-N

Data  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 72249   

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

US Patent
LigandChemical structure of BindingDB Monomer ID 72249BDBM72249(US20250368634, Example 79)
Affinity DataIC50: 39.1nMAssay 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 PCBioAssay