BDBM50622752 CHEMBL5424059

SMILES C[C@H](C(C)(C)C)N1c2cc(ccc2NC1=O)C3=NC(=O)[C@](N3)(C)c4ccccc4

InChI Key InChIKey=AYFDMSNHRFJPTL-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50622752   

TargetN-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 2(Homo sapiens)
Amgen

Curated by ChEMBL

LigandBDBM50622752(CHEMBL5424059)Copy SMILESCopy InChI

Affinity DataIC50: 600nMAssay Description:Inhibition of B3GNT2 (unknown origin) using N-acetyl-lactosamine and UDP-GlcNAc as substrate incubated for 1.5 to 2 hrs by UDP-Glo based analysisMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPDBSimilars

In Depth
Date in BDB:
12/17/2024
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL

TargetN-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 4(Homo sapiens)
Amgen

Curated by ChEMBL

LigandBDBM50622752(CHEMBL5424059)Copy SMILESCopy InChI

Affinity DataIC50: 2.50E+5nMAssay Description:Inhibition of B3GNT4 (unknown origin) using Beta-lactose and UDP-GlcNAc as substrate incubated for 1.5 to 2 hrs by UDP-Glo based analysisMore data for this Ligand-Target Pair

Target InfoKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPDBSimilars

In Depth
Date in BDB:
12/17/2024
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL