BDBM668418 US20240124478, Example 29

SMILES CN1CCC[C@H]1COc1nc2OC3(Cc4ccccc4C3)CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C

InChI Key InChIKey=HNLDDLBHFHDMNE-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 668418   

TargetGTPase KRas [G12C,G12C,C51S,C80L,C118S](Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM668418(US20240124478, Example 29)
Affinity DataIC50: 5.01E+3nMAssay Description:Biotinylated KRAS G12C protein (SEQ ID NO: 1) is diluted to 2 μM in an EDTA buffer (20 mM HEPES, 150 mM sodium chloride, 10 mM EDTA, and 0.01% T...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/9/2024
Entry Details
Go to US Patent