BDBM629595 (3R,Z)-16-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)- 5,5-difluoro-6-hydroxy-12,3,6-trimethyl-17,18- dihydro- 2-aza-1(4,8)-pyrido[2,3-d]pyrimidina-4(1,3)- benzenacyclotetradecaphan-8-en-17-one::US20230339952, Compound 101

SMILES Cc1nc2c3cc(C4CCS(=O)(=O)CC4)c(=O)n(c3n1)CCCCC/C=C\CC(C)(O)C(F)(F)c1cccc(c1)[C@@H](C)N2

InChI Key InChIKey=MGTWZTWBCLSHFB-UHFFFAOYSA-N

Data  1 IC50

  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 = 629595   

TargetSon of sevenless homolog 1/GTPase KRas [G12C](Human)
Kumquat Biosciences

US Patent
LigandChemical structure of BindingDB Monomer ID 629595BDBM629595((3R,Z)-16-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl...)
Affinity DataIC50: 100nMAssay Description:The assay buffer can contain 5 mM HEPES pH 7.4, 150 mM NaCl, 10 mM EDTA, 1 mM DTT, 0.05% BSA, 0.0025% (v/v) Igepal and 100 mM KF. A Ras working solut...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2023
Entry Details
US Patent