BDBM50579591 CHEMBL4857822

SMILES C=CC(=O)N1CCN(c2c(C#N)c(=O)n(-c3c(C(C)C)ncnc3C(C)C)c3nc(-c4c(N)c(Cl)cc(Cl)c4F)c(Cl)cc23)CC1

InChI Key InChIKey=PXVMFIYXYKYNCY-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 = 50579591   

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50579591BDBM50579591(CHEMBL4857822)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of GDP-loaded His-tagged KRAS G12C mutant (2 to 182 residues) (unknown origin) assessed as inhibition of SOS1-catalyzed nucleotide exchang...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50579591BDBM50579591(CHEMBL4857822)
Affinity DataIC50: 19nMAssay Description:Inhibition of KRAS G12C mutant in human NCI-H358 cells assessed as reduction in ERK phosphorylation incubated for 2 hrs by HTRF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed