Compile Data Set for Download or QSAR
maximum 50k data
Found 2202 of ki for UniProtKB: P04585
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00000600nMAssay Description:Displacement of [3H]GW0385 from HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0000150nMAssay Description:Displacement of [3H]GW0385 from HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000220nM ΔG°:  -17.5kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000420nM ΔG°:  -17.2kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000750nM ΔG°:  -16.8kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50099842((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...)
Affinity DataKi:  0.00100nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50099843((S)-N-[(S)-4-[2-(2,6-Dimethyl-phenoxy)-acetylamino...)
Affinity DataKi:  0.00100nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  0.00100nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00120nM ΔG°:  -16.5kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00170nM ΔG°:  -16.3kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00200nM ΔG°:  -16.2kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00240nM ΔG°:  -16.1kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4690((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00260nM ΔG°:  -16.1kcal/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM4685((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00340nM ΔG°:  -15.9kcal/molepH: 5.5 T: 2°CAssay Description:The assay method employed kinetic determinations of values for k1 and k-1, from which value of inhibition constant (Ki ) was determined (k-1/k1). The...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4689((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00390nM ΔG°:  -15.8kcal/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM578((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...)
Affinity DataKi:  0.00400nMAssay Description:Binding affinity against ritonavir-resistant strains.Checked by AuthorMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00430nM ΔG°:  -15.8kcal/molepH: 5.5 T: 2°CAssay Description:Enzymatic activity was determined with fluorogenic substrate in the presence and absence of inhibitor. The fluorescence increase due to hydrolysis of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline

LigandPNGBDBM4688((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00460nM ΔG°:  -15.7kcal/molepH: 5.5 T: 2°CAssay Description:The method was a competitive displacement assay used to determine binding affinities of other inhibitors relative to that of GW0385. The inhibitor of...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50180655(A-157378-0 | A-157378.0 | ABT-378 | CHEBI:31781 | ...)
Affinity DataKi: <0.00500nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi: <0.00500nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM554(5-cyano-N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-ph...)
Affinity DataKi:  0.00700nM ΔG°:  -15.1kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM1501(4-Cyano-N-[3-[1-(5,6,7,8,9,10-hexahydro-4-hydroxy-...)
Affinity DataKi:  0.00700nMAssay Description:Binding affinity of the compound towards HIV protease was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM558(N-{3-[(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethy...)
Affinity DataKi:  0.00800nM ΔG°:  -15.0kcal/molepH: 5.0 T: 2°CAssay Description:HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Upjohn

LigandPNGBDBM1105((4R,5R,6R)-Tetrahydro-1,3-bis[(3-(N-hydroxycarboxi...)
Affinity DataKi:  0.0100nM ΔG°:  -15.6kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50404011(CHEMBL36900)
Affinity DataKi:  0.0100nMAssay Description:Inhibition constant of HIV protease inhibitorsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM159(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50214385(CHEMBL316681)
Affinity DataKi: <0.0100nMAssay Description:Inhibitory activity was evaluated against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50404011(CHEMBL36900)
Affinity DataKi:  0.0100nMAssay Description:Inhibitory activity of compound against HIV-1 aspartyl protease.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50073223(CHEMBL73240)
Affinity DataKi: <0.0100nMAssay Description:Binding affinity for HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50404011(CHEMBL36900)
Affinity DataKi:  0.0100nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50214385(CHEMBL316681)
Affinity DataKi: <0.0100nMAssay Description:Compound was evaluated for inhibition of S. cerevisiae glyoxalase-I by using enzymatic assay at each of 6 substrate concentrations between 0.1 mM and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50073223(CHEMBL73240)
Affinity DataKi: <0.0100nMAssay Description:The compound was evaluated for inhibition of HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50150028((5R,6R)-1-Benzoyl-5-benzyl-6-hydroxy-2,4-bis-(4-hy...)
Affinity DataKi:  0.0100nMAssay Description:Tested for inhibition of HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054156((4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50073270(CHEMBL333781 | {2-[(1S,3S,4S)-1-Benzyl-3-hydroxy-5...)
Affinity DataKi:  0.0100nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM177((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054159(5-chloro-2-{3-[4,7-dibenzyl-3-[3-(5-chloro-2-pyrid...)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity for HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50080117((4R,5S,6S,7R)-1,3-Bis-(3-amino-1H-indazol-5-ylmeth...)
Affinity DataKi:  0.0110nMAssay Description:Binding affinity for HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054156((4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4...)
Affinity DataKi:  0.0110nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054156((4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4...)
Affinity DataKi:  0.0110nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054156((4r,5r,6,7)-3,3-[[Tetrahydro-5,6-dihydroxy-2-oxo-4...)
Affinity DataKi:  0.0110nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054159(5-chloro-2-{3-[4,7-dibenzyl-3-[3-(5-chloro-2-pyrid...)
Affinity DataKi:  0.0120nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50061409(3-[(4R,5S,6S,7R)-3-(3-Amino-benzyl)-4,7-dibenzyl-5...)
Affinity DataKi:  0.0120nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50073095(3-[(4R,5S,6S,7R)-3-(3-Amino-phenyl)-4,7-dibenzyl-5...)
Affinity DataKi:  0.0120nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054159(5-chloro-2-{3-[4,7-dibenzyl-3-[3-(5-chloro-2-pyrid...)
Affinity DataKi:  0.0120nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50545786(CHEMBL4640533)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of HIV1 NL4-3 protease expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protease cleavage ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054184(2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(5-methyl-1,...)
Affinity DataKi:  0.0140nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM160(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...)
Affinity DataKi:  0.0140nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50054184(2-{3-[4,7-dibenzyl-5,6-dihydroxy-3-[3-(5-methyl-1,...)
Affinity DataKi:  0.0140nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM160(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...)
Affinity DataKi:  0.0140nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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