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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50061306   

TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKi:  0.0700nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKi:  0.931nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataIC50:  9nMAssay Description:Inhibition of wild type HIV-1 protease assessed as hydrolysis of fluorogenic substrate Abz-Thr-Ile-Nle-Phe(NO2)-Gln-Arg after 10 mins by fluorescence...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKd:  3nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKd:  38nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataKd:  3.40nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy Of Sciences Of The Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Affinity DataIC50:  1.90nMAssay Description:Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrateMore data for this Ligand-Target Pair