Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 139 hits in this display   

TargetDimer of Gag-Pol polyprotein [489-587,V571I](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.0520nM ΔG°:  -59.7kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
GlaxoSmithKline

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.0700nM ΔG°:  -58.0kJ/molepH: 6.4 T: 2°CAssay Description:The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,L565M](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.114nM ΔG°:  -57.7kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.120nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.240nMAssay Description:Dissociation constant obtained by inhibition of Wild-type proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.280nMAssay Description:Inhibitory activity of the compound 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.300nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.310nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.310nM Kd:  1.07nM Koff:  1.53E+6s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,I539L](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.323nM ΔG°:  -55.1kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.358nM ΔG°:  -54.8kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.360nMMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMAssay Description:Binding affinity to inhibit the purified wild-type HIV-1 ProteaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
State University of New York

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMAssay Description:Enzyme inhibition assay for silanediols, carbinols, and indinavir using assay system C.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
State University of New York

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.370nMpH: 5.5Assay Description:Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587,G537V,H558K,V571A](Human immunodeficiency virus)
CSIR-National Chemical Laboratory

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.380nMAssay Description:Inhibition of recombinant HIV protease expressed in inclusion bodies of Escherichia coli BL21 (DE3)More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.520nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coliMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.520nMAssay Description:Binding affinity against HIV-1 protease enzyme.Checked by AuthorMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.540nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.540nM ΔG°:  -52.4kJ/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
The Johns Hopkins University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.543nM ΔG°:  -52.9kJ/molepH: 5.0 T: 2°CAssay Description:Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,G574S](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.550nM ΔG°:  -52.3kJ/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,L512I](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.585nM ΔG°:  -53.6kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.600nM ΔG°:  -54.8kJ/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.739nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L591M](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  0.800nMAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  0.880nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,V583A](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  1.34nM ΔG°:  -52.7kJ/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,L525I](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  1.40nM ΔG°:  -50.0kJ/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,M537I,A572V](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2nM ΔG°:  -51.6kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I585V](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.51nM ΔG°:  -51.1kJ/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,V521I](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.64nM ΔG°:  -49.8kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,M537I](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.70nM ΔG°:  -50.9kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,A572V](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.80nM ΔG°:  -50.8kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,L512V](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.81nM ΔG°:  -49.6kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.10nM ΔG°:  -50.5kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.10nM ΔG°:  -50.5kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.10nM ΔG°:  -50.5kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,I573V](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.11nM ΔG°:  -49.4kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetGenome polyprotein(Human rhinovirus B)
University of Queensland

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.30nMAssay Description:Binding affinity against HIV-2 protease enzyme.Checked by AuthorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2JD4XH4PubMed
TargetDimer of Gag-Pol polyprotein [514-612](Human immunodeficiency virus type 2)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  3.32nM ΔG°:  -49.2kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K,I573V](Human immunodeficiency virus type 1)
The Johns Hopkins University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  4.40nM ΔG°:  -47.7kJ/molepH: 5.0 T: 2°CAssay Description:Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  4.90nM ΔG°:  -49.3kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,D531N,A572V](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  5.10nM ΔG°:  -49.2kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,D531N,M537I](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  5.10nM ΔG°:  -49.2kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,I536L](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  6.62nM ΔG°:  -47.5kJ/molepH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  6.90nM ΔG°:  -48.5kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  7nM ΔG°:  -48.4kJ/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,D531N,M537I,A572V](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  7.60nM ΔG°:  -48.2kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  10.4nM ΔG°:  -47.4kJ/molepH: 5.6 T: 2°CAssay Description:The inhibition assays were performed in microtiter plate wells by mixing enzyme and fluorescent peptide substrate in the presence of inhibitor compou...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,V583F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  12nM ΔG°:  -47.0kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  13nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  15nMAssay Description:Dissociation constant obtained by inhibition of mutant HIV-protease (A-44)More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  21nMAssay Description:Inhibition of HIV1 recombinant protease M46I/A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,I551V](Human immunodeficiency virus type 1)
Georgia State University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  27nM ΔG°:  -42.8kJ/molepH: 5.0 T: 2°CAssay Description:The Ki values were obtained from the IC50 values estimated from an inhibitor dose-response curve with the spectroscopic assay and the chromogenic sub...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  33nMAssay 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)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  40nMAssay Description:Dissociation constant obtained by inhibition of mutant HIV-protease (V-18)More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  42nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  50nMAssay Description:Dissociation constant obtained by inhibition of mutant HIV-protease (K-60)More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKi:  56nMAssay Description:Inhibition of HIV1 recombinant protease V32I/I47A mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,I573V,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  62nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  69nM ΔG°:  -42.5kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A,V564F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  108nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,I573V,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  289nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  398nM ΔG°:  -38.0kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  480nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetDimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M525I,S526D,M535I,R546K,L552P,A560V,G562S,L579M,I582L](Human immunodeficiency virus type 1)
The Johns Hopkins University

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  481nM ΔG°:  -36.1kJ/molepH: 5.0 T: 2°CAssay Description:Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668BB6PubMed
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  1.10E+3nM ΔG°:  -34.0kJ/molepH: 5.0 T: 2°CAssay Description:Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2668BB6PubMed
TargetDimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  1.62E+3nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,L552P,A560V,V571A,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  1.96E+3nM ΔG°:  -33.9kJ/molepH: 4.7 T: 2°CAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  2.91E+3nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,I573V,L579M](Human immunodeficiency virus type 1)
University of Florida College of Medicine

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKi:  4.24E+3nMAssay Description:The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.360nMpH: 5.5 T: 2°CAssay Description:The inhibition of HIV-1 protease activities were measured with peptide hydrolysis assays. The appearance of products and the corresponding loss of su...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.360nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
University of Pennsylvania

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.360nMpH: 5.5 T: 2°CAssay Description:All enzyme assays were performed under initial velocity and steady-state conditions. The conditions for the enzyme catalyzed hydrolysis of the cleava...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.410nMAssay Description:Inhibition of HIV-1 protease in vitro.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.410nMAssay Description:Inhibition of Human Immunodeficiency virus-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.560nMAssay Description:Evaluated for the inhibition of HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.590nMAssay Description:Evaluated for the inhibition of ProteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.590nMAssay Description:In vitro inhibitory concentration of the compound to prevent cleavage of a substrate by the protease enzymeMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.590nMAssay Description:Tested in vitro for the ability to inhibit cleavage of a substrate by the wild type HIV-1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.590nMAssay Description:Inhibitory concentration required to inhibit cleavage of a substrate by the wild-type HIV-1 ProteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.590nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,Q496K](Human immunodeficiency virus type 1)
Merck Research Laboratories

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of wild type HIV1 NL4-3 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 0.600nMAssay Description:Inhibition of HIV protease of HIV V-18C mutant strainMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 0.880nMT: 2°CAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli incubated for 20 to 30 mins at room temperature using (Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-I...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 1.60nMAssay Description:In vitro inhibitory activity against wild type 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of HIV1 recombinant proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 10nMAssay Description:Inhibition of purified HIV-1 protease using [Arg-Glu(EDANS)-Ser-Gin-Asn-Tyr-Ile-Val-Gin-Lys(dabcyl)-Arg) as fluorogenic substrate by fluorescence ass...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
State University of New York

LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 10.5nMAssay Description:Protease inhibitors (PI) are used to treat HIV infection by preventing viral assembly and maturation through the inhibition of HIV-1 protease activit...More data for this Ligand-Target Pair
TargetGag polyprotein(Human immunodeficiency virus type 1 group M subtyp...)
DuPont Merck Pharmaceutical Company

LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 20nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2R78CK2PubMed
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 20.1nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 20.1nMAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 35nMAssay Description:Tested in vitro for potential potency against PI-resistant HIV virus by A-44 mutant enzyme variantMore data for this Ligand-Target Pair
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 43.6nMAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2Z60M7ZPubMed
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 43.6nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PN93V7PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 44nMAssay Description:Inhibition of HIV protease of HIV V-18C mutant strainMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 52nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in PBMC cells infected with HIV-1 237288 strainMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 56nMAssay Description:Inhibition of virion associated RT activity relative to untreated, infected control in MT2 cells infected with HIV-1 237288 strainMore data for this Ligand-Target Pair
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 61nMAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q22Z13QXPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 61nMAssay Description:Inhibition of HIV protease of HIV V-18C mutant strainMore data for this Ligand-Target Pair
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 61.2nMAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 61.2nMpH: 5.5 T: 2°CAssay Description:Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 89nMAssay Description:In vitro inhibitory activity of the compound against mutant HIV-1 (A-44)proteaseMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 150nMAssay Description:Inhibition of cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K35T0RPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 370nMAssay Description:Compound was tested for inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in HEK293 cells after 1.5 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of human MATE1-mediated [14]-metformin uptake expressed in polarized MDCK2 cells after 5 mins by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 7.80E+3nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells up to 500 uM after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetReplicase polyprotein 1ab(2019-nCoV)TBA
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 1.36E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J1069FPubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 2.12E+4nMAssay Description:Inhibition of recombinant human BSEP expressed in baculovirus infected sf9 cell plasma membrane vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2TF00N2PubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 2.12E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetBile salt export pump(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 2.12E+4nMAssay Description:Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brainMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26Q20JNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of cytochrome P450 2D6More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2K35T0RPubMed
TargetReplicase polyprotein 1ab(Human SARS coronavirus (SARS-CoV) (Severe acute re...)TBA
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 3.15E+4nMAssay Description:This is a review article. Please point to the original journal.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2J1069FPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 4.40E+4nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 5 uM) in Caco-2 cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2959JTXPubMed
TargetSolute carrier family 22 member 1(RAT)
University of California

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 6.17E+4nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in OCT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2DF6V3SPubMed
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 8.30E+4nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human MDR1-dependent accumulation of calcein-AM expressed in MDCK2 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q24Q7VX6PubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen Inc

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataIC50: 1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JM2D2DPubMed
TargetSolute carrier family 22 member 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 1.42E+5nMAssay Description:Inhibition of human OCT2-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 1(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 2.08E+5nMAssay Description:Inhibition of human OCT1-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetMultidrug and toxin extrusion protein 2(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human MATE2K-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetSolute carrier family 22 member 3(Homo sapiens (Human))
University of California

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataIC50: 5.00E+5nMAssay Description:Inhibition of human OCT3-mediated ASP+ uptake expressed in HEK293 cells after 3 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2F76DWZPubMed
TargetProtease(Human immunodeficiency virus 1 (HIV-1))
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKd:  1.40nMAssay 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKd:  5.5nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKon:  0.00158M-1s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataEC50:  1.58E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induction of CYP3A4 after 24 hrs by luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
National Institutes of Health Chemical Genomics Center

Curated by ChEMBL
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataEC50:  1.41E+4nMAssay Description:Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by luciferase reporter gene based luminescent analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JS9S5PPubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM517((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)copy SMILEScopy InChI
Affinity DataKd:  1.07nMAssay Description:Binding affinity for human immunodeficiency virus type 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
LigandPNGBDBM50067593(CHEBI:44032 | Crixivan | Indinavir | L-735524 | MK...)copy SMILEScopy InChI
Affinity DataKd:  1.20nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4More data for this Ligand-Target Pair
Displayed 1 to 50 (of 139 total ) | Next | Last >>