Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12877 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0390 | -60.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM578 ((2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)aceta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12875 ((5S)-3-(3-fluorophenyl)-N-[(2S,3R)-3-hydroxy-4-[(4...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | -58.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12876 ((5S)-3-(3,4-difluorophenyl)-N-[(2S,3R)-3-hydroxy-4...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.152 | -57.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12878 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-1-benzyl-2-hydr...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.179 | -56.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 30 |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM577 ((3S)-oxolan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12883 ((5S)-3-(3-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB Article PubMed | 0.235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12882 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM520 (1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM12881 ((5S)-N-[(1S,2R)-3-[[(4-Aminophenyl)sulfonyl](isobu...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 49: 7342-56 (2006) Article DOI: 10.1021/jm060666p BindingDB Entry DOI: 10.7270/Q25T3HQ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM519 ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17831 ((2S)-2-acetamido-N-[(2S,4S,5S)-5-{[(5S)-3-(3-acety...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 1.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17828 ((2S)-2-acetamido-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17829 ((2S)-N-[(2S,4S,5S)-5-{[(5S)-3-(3,4-difluorophenyl)...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17832 ((2S)-N-[(2S,4S,5S)-4-hydroxy-5-{[(5S)-2-oxo-3-phen...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17833 (Hydroxyethylene Isostere-Based Compound, 15a | met...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17838 (2-(2,6-dimethylphenoxy)-N-[(2S,3S,5S)-3-hydroxy-5-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 18.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [491-589,Q498K,D521N,V555I,N579D] (Human immunodeficiency virus type 1) | BDBM17843 ((Hydroxyethyl)hydrazine Isostere-Based Compound, 3...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 39.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair |