BDBM652946 (P)-(1R,8S)-6- (3-hydroxy-1- naphthalenyl)-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 (3rd eluting isomer)::US20240059703, Example 2-39::US20240059703, Example 2-40

SMILES C=CC(=O)N1CC2(CCN(c3nc4c(c(-c5cc(O)cc6ccccc56)c3C#N)[C@H]3CC[C@@H]4C3)C2)C1

InChI Key InChIKey=SPHOIWFDWUNVPA-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 = 652946   

LigandChemical structure of BindingDB Monomer ID 652946BDBM652946(US20240059703, Example 2-40 | (P)-(1R,8S)-6- (3-hy...)
Affinity DataIC50: 9nMAssay 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
US Patent

LigandChemical structure of BindingDB Monomer ID 652946BDBM652946(US20240059703, Example 2-40 | (P)-(1R,8S)-6- (3-hy...)
Affinity DataIC50: 46nMAssay 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
US Patent