BDBM652855 (P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-(2-(2-propenoyl)-2,6- diazaspiro[3,4]octan-6- yl)-5,6,7,8-tetrahydro-3- quinolinecarbonitrile, stereochemistry arbitrarily assigned [1st eluting atropisomer::US20240059703, Example 1-10::US20240059703, Example 1-8

SMILES Cc1ccc2[nH]ncc2c1-c1c2CCC(C)(C)Cc2nc(N2CCC3(CN(C3)C(=O)C=C)C2)c1C#N

InChI Key InChIKey=VEBWLJQNRYXRTK-UHFFFAOYSA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 652855   

LigandPNGBDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
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
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Date in BDB:
4/24/2024
Entry Details
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LigandPNGBDBM652855((P)-7,7-dimethyl-4-(5- methyl-1H-indazol-4-yl)- 2-...)
Affinity DataIC50: 6.70E+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