null

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

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 15 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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
Affinity DataKi:  0.931nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)TBA
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)TBA
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  2nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  3.20nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  3.80nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  18nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataKi:  32nMAssay Description:Inhibition of HIV1 recombinant protease L10F/L19I/K20R/L33F/E35D/M36I/R41K/F53L/I54V/L63P/H69K/A71V/T74P/I84V/L89M/L90M/I93L mutant expressed in Esch...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)TBA
LigandPNGBDBM50061306((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Compound was tested for inhibitory activity against HIV-1 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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
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...)copy SMILEScopy InChI
Affinity DataIC50: 1.90nMAssay Description:Inhibition of recombinant wild type HIV1 protease assessed as hydrolysis of fluorogenic substrateMore data for this Ligand-Target Pair