BDBM50549225 CHEMBL4750445

SMILES Cn1cc(nc1)Cn2ccc3c2cc(cc3)CNCc4c(c5ccccc5[nH]4)[C@@H]6c7cc(ccc7C(=O)N6)O

InChI Key InChIKey=JYEQLXOWWLNVDX-UHFFFAOYSA-N

Data  1 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50549225   

TargetGTPase KRas (G12D) and Son of Sevenless Homolog 1 (SOS)(Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50549225(CHEMBL4750445 | US12281099, Example I-093)
Affinity DataIC50: 230nMAssay Description:Measurement of various protein-protein interactions was performed using the Alpha Screen technology developed by Perkin Elmer. Recombinant RAS protei...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2025
Entry Details
PDB3D3D Structure (crystal)
TargetGTPase KRas [G12D]/Son of sevenless homolog 1 [564-1049](Human)
Boehringer Ingelheim International

US Patent
LigandPNGBDBM50549225(CHEMBL4750445 | US12281099, Example I-093)
Affinity DataIC50: 310nMAssay Description:The following binding partners have been used in this assay. Biotinylated KRAS G12D protein corresponding to KRAS (amino acids 1-169, with the follow...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2025
Entry Details
PDB3D3D Structure (crystal)
TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549225(CHEMBL4750445 | US12281099, Example I-093)
Affinity DataIC50: 450nMAssay Description:Inhibition of N-terminal 6His-tagged/C-terminal Avi-tagged biotinylated GDP-bound human KRas G12D mutant (1 to 169 residues) assessed as reduction in...More 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
LigandPNGBDBM50549225(CHEMBL4750445 | US12281099, Example I-093)
Affinity DataKd:  750nMAssay Description:Binding affinity to human GCP-KRAS G12D mutant (1 to 169 residues) expressed in Escherichia coli BL21(DE3) by isothermal titration calorimetry assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/25/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGTPase KRas(Human)
Jinan University

Curated by ChEMBL
LigandPNGBDBM50549225(CHEMBL4750445 | US12281099, Example I-093)
Affinity DataKd:  750nMAssay Description:Binding affinity to GTP-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)