BDBM50579586 CHEMBL4859387

SMILES CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN([C@@H](CC#N)C2)C(=O)C=C)c(C#N)c1=O)-c1c(N)c(Cl)cc(Cl)c1F

InChI Key InChIKey=UAMGUBVJXVAZNT-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 = 50579586   

TargetGTPase KRas(Human)
Usona Institute

Curated by ChEMBL
LigandPNGBDBM50579586(CHEMBL4859387)
Affinity DataIC50: 6.70nMAssay 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
LigandPNGBDBM50579586(CHEMBL4859387)
Affinity DataIC50: 12nMAssay 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