BDBM577 (3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate::141W94::APV::Agenerase::Amprenavir::BDBM50215393::CHEMBL116::VX-478
SMILES CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
InChI Key InChIKey=YMARZQAQMVYCKC-OEMFJLHTSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 50 hits for monomerid = 577
Affinity DataKi: 0.0000570nMAssay Description:Inhibition of HIV1 protease by fluorescent peptide substrate based assayMore data for this Ligand-Target Pair
Affinity DataKi: 0.00700nMAssay Description:Inhibition of wild type HIV1 protease by FRET assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.0300nMAssay Description:Inhibition of HIV1 protease I50V, A71V mutant by FRET assayMore data for this Ligand-Target Pair
Affinity DataKi: 0.0360nMAssay 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)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 0.0400nM ΔG°: -14.2kcal/mole IC50: 150nMpH: 6.8 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 [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 0.0400nM ΔG°: -14.2kcal/mole IC50: 150nMpH: 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 [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 0.0400nM ΔG°: -14.2kcal/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
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.0410nMAssay Description:Inhibition of HIV1 protease L10I, G48V, I54V, L63P and V82A mutant by FRET assayMore data for this Ligand-Target Pair
Affinity DataKi: 0.0570nM ΔG°: -14.2kcal/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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.0800nMAssay Description:Binding affinity to HIV-1 protease assessed as inhibition constant incubated for 60 mins by mass spectrometric analysisMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: <0.100nMAssay Description:Binding affinity to HIV-1 protease was determinedMore data for this Ligand-Target Pair
Affinity DataKi: 0.100nMAssay Description:Inhibition assay using HIV protease and Sulfonamide compounds.More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q496K](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School
University Of Massachusetts Medical School
Affinity DataKi: 0.100nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.130nMAssay Description:Inhibition of HIV1 recombinant protease D30N/N88D mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.130nMAssay 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
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School
University Of Massachusetts Medical School
Affinity DataKi: 0.150nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.160nMAssay Description:Binding affinity to inhibit the purified wild-type HIV-1 ProteaseMore data for this Ligand-Target Pair
Affinity DataKi: 0.170nMpH: 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](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.170nMAssay Description:Affinity of the compound against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.170nMAssay Description:Inhibitory activity against HIV-1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.170nM ΔG°: -13.9kcal/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
Affinity DataKi: 0.180nMAssay Description:Inhibition of wild-type HIV1 BH10 protease expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.195nMAssay Description:Inhibition of HIV1 protease L10I, L63P, A71V, G73S, I84V, L90M mutant by FRET assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School
University Of Massachusetts Medical School
Affinity DataKi: 0.210nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.230nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
Affinity DataKi: 0.359nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [482-580,I502K,I528M,T553A](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 0.400nM ΔG°: -13.3kcal/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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.600nMAssay Description:Binding affinity against HIV-proteaseChecked by AuthorMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Evotec (U.K.)
Curated by ChEMBL
Evotec (U.K.)
Curated by ChEMBL
Affinity DataKi: 0.600nMAssay Description:Compound was assayed for inhibition against HIV protease activityMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.820nMAssay Description:Inhibition of HIV1 recombinant protease A71V/V82T/I84V mutant expressed in Escherichia coli by spectrophotometric assayMore data for this Ligand-Target Pair
Affinity DataKi: 0.840nMAssay Description:Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysisMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.900nMAssay 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 [482-580,I502K,I528M,T553A,V564F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 1.20nMAssay 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 [490-588,L523I,E525D,M526I,I544V,L553H,H559K,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 1.40nMAssay 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 [491-589,Q498K,L501I,V555I,A562V,G564S,I575V,L581M](Human immunodeficiency virus type 1)
University Of Massachusetts Medical School
University Of Massachusetts Medical School
Affinity DataKi: 1.40nMAssay Description:HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,M535I,L552P,A560V,V571F,I573V](Human immunodeficiency virus type 1)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 2.30nM ΔG°: -12.0kcal/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
TargetDimer of Gag-Pol polyprotein [501-599,V583F](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 2.60nM ΔG°: -12.2kcal/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,I539V](Human immunodeficiency virus type 1)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 4.90nM ΔG°: -11.5kcal/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
Affinity DataKi: 6.20nMAssay Description:Inhibition of wild type HIV1 protease by competitive bindingMore data for this Ligand-Target Pair
Affinity DataKi: 6.40nMAssay Description:Inhibition of wild type HIV1 protease by enzyme inhibitionMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 15nMAssay 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 [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M](Human immunodeficiency virus type 1)
Johnson & Johnson Pharmaceutical
Johnson & Johnson Pharmaceutical
Affinity DataKi: 23nMAssay 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
Affinity DataKi: 28nMAssay Description:Inhibition of wild type HIV1 protease by uncompetitive bindingMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587,L499I,L508Q,K509R,E524D,M525I,S526N,M535I,I539V,I543V,I551V,L552P,A560V,V571A,L579M](Human immunodeficiency virus type 1)
Glaxosmithkline
Glaxosmithkline
Affinity DataKi: 58nM ΔG°: -10.0kcal/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
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 63nMAssay Description:Inhibition of HIV1 protease V32I mutant by enzyme inhibitionMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 101nMAssay Description:Inhibition of HIV1 protease V32I mutant by competitive bindingMore data for this Ligand-Target Pair
Affinity DataKi: 200nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A5 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 225nMAssay Description:Inhibition of HIV1 protease V32I mutant by uncompetitive bindingMore data for this Ligand-Target Pair
Affinity DataKi: 260nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylationMore data for this Ligand-Target Pair
Affinity DataKi: 370nMAssay Description:Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsomeMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 6 hits for monomerid = 577
CellHIV-1 Protease Mutant (L10I/L90M)(Human immunodeficiency virus type 1)
The Johns Hopkins University
The Johns Hopkins University
ITC DataΔG°: -12.4kcal/mole −TΔS°: -7.19kcal/mole ΔH°: -5.19kcal/mole logk: 1.30E+9
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
ITC DataΔG°: -10.6kcal/mole −TΔS°: -12.2kcal/mole ΔH°: 1.60kcal/mole logk: 5.80E+7
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
ITC DataΔG°: -11.6kcal/mole −TΔS°: -11.1kcal/mole ΔH°: -0.499kcal/mole logk: 3.20E+8
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
CellHIV-1 Protease Mutant (V82A/I84V)(Human immunodeficiency virus type 1)
The Johns Hopkins University
The Johns Hopkins University
ITC DataΔG°: -12.2kcal/mole −TΔS°: -6.59kcal/mole ΔH°: -5.59kcal/mole logk: 9.20E+8
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
CellHIV-1 Protease Mutant (M46I/I54V)(Human immunodeficiency virus type 1)
The Johns Hopkins University
The Johns Hopkins University
ITC DataΔG°: -12.8kcal/mole −TΔS°: -9.29kcal/mole ΔH°: -3.49kcal/mole logk: 2.40E+9
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C
ITC DataΔG°: -13.2kcal/mole −TΔS°: -6.30kcal/mole ΔH°: -6.89kcal/mole logk: 5.00E+9
pH: 5.0 T: 25.00°C
pH: 5.0 T: 25.00°C