Compile Data Set for Download or QSAR
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Report error Found 38 Enz. Inhib. hit(s) for PDB: 6DH6
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000147nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.000200nMAssay Description:Inhibition of wild type HIV1 protease by FRET assayMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetGag-Pol polyprotein [484-582,Q491K,I494L,I497V,V499I,E519D,R541K,D544E,Q553K,L573M](Human immunodeficiency virus)
University of Massachusetts

LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00500nM ΔG°:  -64.5kJ/molepH: 4.7 T: 25°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(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 wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00530nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity to wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.00800nMAssay Description:Inhibition of wild type HIV1 protease by FRETMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0100nMAssay Description:Inhibition of HIV1 protease using RE(Edans)SGIFLETSK(Dabcyl)R as substrate by fluorescence methodMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 protease using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 substrate by continuous fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 protease dimerization in MT2 cellsMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV-1 protease by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0160nMAssay Description:Inhibition of HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0250nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing natura...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0250nMAssay Description:Inhibition of HIV1 NL4-3 protease I84V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing protea...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0750nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing n...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.0750nMAssay Description:Inhibition of HIV1 NL4-3 protease I50V/A71V mutant expressed in Escherichia coli TAP-106 cells using EDANS/DABCYL-labelled 10-amino acid containing p...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.245nM ΔG°:  -54.9kJ/molepH: 4.7 T: 25°CAssay Description:The reaction mixture contained 2 µL of protease and 2 µL of inhibitor (or DMSO as a control) and was incubated for 20-30 min at room temper...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  0.340nMAssay Description:Inhibition of wild type HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  9nMAssay Description:Inhibition of wild type HIV1 protease by enzyme inhibitionMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  18nMAssay Description:Inhibition of wild type HIV1 protease by uncompetitive bindingMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKi:  22nMAssay Description:Inhibition of wild type HIV1 protease by competitive bindingMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  0.0130nMAssay Description:Inhibition of GAR transformylase from Lactobacillus caseiMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  0.0600nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-GlnAsn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincuba...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  0.0610nMT: 25°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
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  0.460nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrate preincub...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  3.80nMAssay Description:Inhibition of Human immunodeficiency virus 1 3B proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataIC50:  4nMAssay Description:Inhibition of wild type HIV1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg as substrat...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataKd:  0.0160nMAssay Description:Binding affinity to HIV1 proteaseMore data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataEC50:  13nMAssay Description:Inhibition of DRV-resistant protease V32I/L33F/I54M/V82I mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase ...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)
TargetProtease(Human immunodeficiency virus type 1)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM8125((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...)
Affinity DataEC50:  112nMAssay Description:Inhibition of DRV-resistant protease V32I/L33F/I54M/I84V mutant in HIV1 transfected in 293T cells after 48 hrs by lentiviral vector-based luciferase ...More data for this Ligand-Target Pair
In DepthDetails
ArticlePubMedPDB3D3D Structure (crystal)