BDBM668406 US20240124478, Example 25a

SMILES C[C@H]1C[C@]2(CCc3c(O2)nc(OC[C@@H]2CCCN2C)nc3N2CCN([C@@H](CC#N)C2)C(=O)C=C)c2ccccc12

InChI Key InChIKey=BVCLLSBJGDUOSF-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 = 668406   

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

US Patent
LigandPNGBDBM668406(US20240124478, Example 25a)
Affinity DataIC50: 14.2nMAssay 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