BDBM50549223 CHEMBL4796065

SMILES CN(C)Cc1c(c2ccccc2[nH]1)[C@@H]3c4cc(ccc4C(=O)N3)O

InChI Key InChIKey=MPCMVISHWIWVIQ-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 5 PDB IDs match this monomer.

  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 = 50549223   

TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549223(CHEMBL4796065)
Affinity DataKd:  2.00E+4nMAssay Description:Binding affinity to GCP-KRAS G12D (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549223(CHEMBL4796065)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of C-terminal Avi-tagged biotinylated KRas G12D mutant (1 to 169 residues) (unknown origin) expressed in Escherichia coli assessed as redu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)