BDBM50549223 CHEMBL4796065::US12281099, Example I-003

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

InChI Key InChIKey=MPCMVISHWIWVIQ-UHFFFAOYSA-N

Data  3 IC50  1 Kd

PDB links: 5 PDB IDs match this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50549223   

TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549223(CHEMBL4796065 | US12281099, Example I-003)
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 | US12281099, Example I-003)
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)
TargetGTPase KRas [G12D]/Son of sevenless homolog 1 [564-1049](Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50549223(CHEMBL4796065 | US12281099, Example I-003)
Affinity DataIC50: 3.37E+4nMMore 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
LigandPNGBDBM50549223(CHEMBL4796065 | US12281099, Example I-003)
Affinity DataIC50: 6.90E+3nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2025
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)