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-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 75 hits for monomerid = 577
Affinity DataEC50: 17.5nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Affinity DataIC50: 4.48E+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
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University
Purdue University
Affinity DataIC50: 27nMpH: 6.4 T: 2°CAssay Description:The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar...More data for this Ligand-Target Pair
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of human BSEP expressed in fall armyworm sf9 cell plasma membrane vesicles assessed as reduction in vesicle-associated [3H]-taurocholate t...More data for this Ligand-Target Pair
Affinity DataIC50: 13nMpH: 6.5Assay Description:Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-892](Human immunodeficiency virus)
Massachusetts Institute of Technology
Massachusetts Institute of Technology
Affinity DataEC50: 3nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
TargetHIV WT-A pol protein (wild-type clade A)(Human immunodeficiency virus type 1)
Massachusetts Institute of Technology
Massachusetts Institute of Technology
Affinity DataEC50: 2.60nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-892,N526H,R530K,V566I,I582L,V648I,Q690K,I723V,C750S,T788A,Q795E,T874A,V881I,P882Q](Human immunodeficiency virus)
Massachusetts Institute of Technology
Massachusetts Institute of Technology
Affinity DataEC50: 1.80nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
TargetHIV WT-C pol protein (wild-type clade C)(Human immunodeficiency virus)
Massachusetts Institute of Technology
Massachusetts Institute of Technology
Affinity DataEC50: 3.70nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Affinity DataIC50: 1.33E+5nMAssay 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
Affinity DataEC50: 15.6nMAssay Description:Drug susceptibility assays were carried out by Monogram Bioscience against wild-type HIV-1 control and patient-derived strains of wild-type HIV-1 fro...More data for this Ligand-Target Pair
Affinity DataIC50: 4.48E+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
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
Affinity DataIC50: 1.52E+4nMAssay Description:Inhibition of human cathepsin DMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataIC50: 1nMAssay Description:Concentration required to inhibit HIV-1 protease cleavage by 50%.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKd: 1.10nMAssay Description:Binding affinity for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataIC50: 30nMAssay 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
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories
Abbott Laboratories
Affinity DataIC50: 109nMpH: 4.5 T: 2°CAssay Description:HIV-1 protease inhibition was measured by a fluorescence assay using recombinant HIV-1 protease. The reactions were initiated by the addition of 1 nM...More data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories
Abbott Laboratories
Affinity DataIC50: 2.60nMpH: 5.5 T: 2°CAssay Description:Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w...More data for this Ligand-Target Pair
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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataIC50: 540nMAssay Description:Inhibition of HIV-1 protease expressed in Escherichia coli using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-Arg peptide as substrate ...More data for this Ligand-Target Pair
TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
Federal University of Parana
Curated by ChEMBL
Federal University of Parana
Curated by ChEMBL
Affinity DataIC50: 1.81E+5nMAssay Description:Inhibition of human ABCG2 expressed in dog MDCK-II-BCRP cells mediated pheophorbide A efflux preincubated with PhA followed by compound addition and ...More data for this Ligand-Target Pair
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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKd: 0.589nMAssay Description:Affinity for HIV ProteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus type 1)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
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
TargetProtease(Human immunodeficiency virus type 1)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
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)
Purdue University
Purdue University
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
TargetDimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A](Human immunodeficiency virus type 1)
Purdue University
Purdue University
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)
Purdue University
Purdue University
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
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
TargetProtease(Human immunodeficiency virus type 1)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.0570nMAssay Description:Inhibition of HIV1 protease by fluorescent peptide substrate based assayMore data for this Ligand-Target Pair
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Abbott Laboratories
Abbott Laboratories
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)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
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
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
Affinity DataKi: 0.100nMAssay Description:Inhibition assay using HIV protease and Sulfonamide compounds.More data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKi: <0.100nMAssay Description:Binding affinity to HIV-1 protease was determinedMore 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
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
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)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
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
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKi: 0.170nMAssay Description:Affinity against HIV proteaseMore data for this Ligand-Target Pair
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKi: 0.170nMAssay Description:Inhibitory activity against 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
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
TargetProtease(Human immunodeficiency virus type 1)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
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)
University of The Mediterranean
Curated by ChEMBL
University of The Mediterranean
Curated by ChEMBL
Affinity DataKi: 0.230nMAssay Description:Inhibition constant for human immunodeficiency virus type 1 proteaseMore data for this Ligand-Target Pair
TargetProtease(Human immunodeficiency virus type 1)
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Sanford-Burnham Medical Research Institute
Curated by ChEMBL
Affinity DataKi: 0.359nMAssay Description:Inhibition of HIV1 proteaseMore data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 6 hits for monomerid = 577
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
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
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