BDBM50061306 (3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid::AG-1343::CHEMBL1205::NELFINAVIR MESYLATE::Nelfinavir::Viracept::cmdc.202100576, 24h

SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChI Key InChIKey=QAGYKUNXZHXKMR-HKWSIXNMSA-N

Data  11 KI  23 IC50  3 Kd

PDB links: 11 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50061306   

TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank