BDBM50549224 CHEMBL4788500

SMILES Oc1ccc2C(=O)N[C@@H](c2c1)c1c(CNCc2ccc3ccn(Cc4ccccc4)c3c2)[nH]c2ccccc12

InChI Key InChIKey=ODHMZVFKZVCZOB-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50549224   

TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549224(CHEMBL4788500)
Affinity DataIC50: 870nMAssay 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 DepthDetails Article
PubMedPDB3D3D Structure (crystal)