BDBM652949 (1R,9R)-6-(7- hydroxy-5- quinolinyl)- 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 2-42::US20240059703, Example 2-46::US20240059703, Example 2-47

SMILES CC1(C)[C@@H]2C[C@H]1c1nc(N3CCC4(CN(C4)C(=O)C=C)C3)c(C#N)c(c1C2)-c1cc(O)cc2ncccc12

InChI Key InChIKey=WIGLPTORTKDYDZ-UUOWRZLLSA-N

Data  3 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 3 hits for monomerid = 652949   

LigandPNGBDBM652949((1R,9R)-6-(7- hydroxy-5- quinolinyl)- 10,10-dimeth...)
Affinity DataIC50:  28nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent

LigandPNGBDBM652949((1R,9R)-6-(7- hydroxy-5- quinolinyl)- 10,10-dimeth...)
Affinity DataIC50:  181nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent

LigandPNGBDBM652949((1R,9R)-6-(7- hydroxy-5- quinolinyl)- 10,10-dimeth...)
Affinity DataIC50:  6nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent