BDBM50521249 CHEMBL4452819

SMILES C=CC(=O)N1CCN2c3ncnc4c(F)c(-c5c(O)cccc5F)c(Cl)c(c34)OC[C@@H]2C1

InChI Key InChIKey=RNIQSNPKACJDCB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50521249   

TargetGTPase KRas(Human)
AstraZeneca

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50521249BDBM50521249(CHEMBL4452819)
Affinity DataIC50: 19nMAssay Description:Inhibition of C-terminal Avi and 6His-tagged human KRAS 2B G12C mutant (1 to 166 residues) expressed in Escherichia coli BL21 (DE3) assessed as inhib...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGTPase KRas(Human)
AstraZeneca

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50521249BDBM50521249(CHEMBL4452819)
Affinity DataIC50: 29nMAssay Description:Inhibition of GDP loaded biotin-labeled KRAS G12C mutant (unknown origin) assessed as reduction in guanine nucleotide exchange preincubated for 4 hrs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMed