BDBM544306 19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoyl)-1- piperazinyl)-3-(2- propanyl)-1,23,26- triazapentacyclo[16.6. 2.0~2,7~.0~12,17~.0~ 21,25~]hexacosa- 2,4,6,9,12,14,16,18,20, 22,25-undecaen-24- one::US11285156, Ex.# 146-1-1::US11285156, Ex.# 146-2::US11285156, Ex.# 146-2-1

SMILES CC(C)c1cccc2C\C=C\Cc3ccccc3-c3nc4n(-c12)c(=O)nc(N1C[C@@H](C)N(C[C@@H]1C)C(=O)C=C)c4cc3Cl

InChI Key InChIKey=VJCJCDXSGGQWRT-UHFFFAOYSA-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 = 544306   

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM544306(19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoy...)
Affinity DataIC50: 25nMAssay 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:
7/16/2022
Entry Details
US Patent

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM544306(19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoy...)
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
In Depth
Date in BDB:
7/16/2022
Entry Details
US Patent

TargetGTPase KRas [1-169,G12C,C118A](Human)
Amgen

US Patent
LigandPNGBDBM544306(19-chloro-22- ((2S,5R)-2,5-dimethyl- 4-(2-propenoy...)
Affinity DataIC50: 9.43E+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:
7/16/2022
Entry Details
US Patent