BDBM652972 (1R,9R)-6-(2- chloro-5- hydroxyphenyl)- 10,10-dimethyl- 4-(2-(2- propenoyl)-2,6- diazaspiro[3.4] octan-6-yl)-3- azatricyclo [7.1.1.02,7]undeca- 2,4,6-triene-5- carbonitrile::US20240059703, Example 2-64::US20240059703, Example 2-74::US20240059703, Example 2-75

SMILES CC1(C)[C@@H]2C[C@H]1c1nc(N3CCC4(CN(C4)C(=O)C=C)C3)c(C#N)c(c1C2)-c1cc(O)ccc1Cl

InChI Key InChIKey=CDCSFHVRGOTFCQ-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 = 652972   

LigandPNGBDBM652972(US20240059703, Example 2-64 | US20240059703, Examp...)
Affinity DataIC50: 39nMAssay 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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LigandPNGBDBM652972(US20240059703, Example 2-64 | US20240059703, Examp...)
Affinity DataIC50: 21nMAssay 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

LigandPNGBDBM652972(US20240059703, Example 2-64 | US20240059703, Examp...)
Affinity DataIC50: 454nMAssay 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