BDBM653233 (1S,8R)-6-(5-methyl-1H- indazol-4-yl)-4-(2-(2- propenoyl)-2,6- diazaspiro[3.4]octan-6- yl)-3- azatricyclo[6.2.1.02,7] undeca-2,4,6-triene-5- carbonitrile::US20240059703, Example 14-4::US20240059703, Example 14-6::US20240059703, Example 14-7

SMILES Cc1ccc2[nH]ncc2c1-c1c2[C@@H]3CC[C@@H](C3)c2nc(N2CCC3(CN(C3)C(=O)C=C)C2)c1C#N

InChI Key InChIKey=WWBQVUFZPYKXBC-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 653233   

LigandPNGBDBM653233(US20240059703, Example 14-4 | US20240059703, Examp...)
Affinity DataIC50: 17nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
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LigandPNGBDBM653233(US20240059703, Example 14-4 | US20240059703, Examp...)
Affinity DataIC50: 1.42E+3nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
Go to US Patent

LigandPNGBDBM653233(US20240059703, Example 14-4 | US20240059703, Examp...)
Affinity DataIC50: 14nMAssay Description:Purified GDP-bound KRAS protein (aa 1-169), containing both G12C and C118A amino acid substitutions and an N-terminal His-tag, was pre-incubated in a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/24/2024
Entry Details
Go to US Patent