BDBM50549224 CHEMBL4788500::US12281099, Example I-080

SMILES c1ccc(cc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O

InChI Key InChIKey=ODHMZVFKZVCZOB-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50549224   

TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549224(CHEMBL4788500 | US12281099, Example I-080)
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 Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGTPase KRas [G12D]/Son of sevenless homolog 1 [564-1049](Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50549224(CHEMBL4788500 | US12281099, Example I-080)
Affinity DataIC50: 450nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetGTPase KRas (G12D) and Son of Sevenless Homolog 1 (SOS)(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50549224(CHEMBL4788500 | US12281099, Example I-080)
Affinity DataIC50: 800nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)