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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Dimer of Gag-Pol polyprotein [501-599,A572V] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | <0.0210 | <-63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0210 | -63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599] (94/99 = 95%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0210 | -63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,D531N,A572V] (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | <0.0210 | <-63.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,M537I,A572V] (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0300 | -62.5 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (90/99 = 91%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of HIV1 recombinant protease after 15 mins by fluorescence assay | J Med Chem 52: 7604-17 (2009) Article DOI: 10.1021/jm9005115 BindingDB Entry DOI: 10.7270/Q2FR00F2 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (90/99 = 91%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dainippon Sumitomo Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of HIV1 protease | Bioorg Med Chem 16: 1299-308 (2008) Article DOI: 10.1016/j.bmc.2007.10.062 BindingDB Entry DOI: 10.7270/Q2RJ4N8X | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,L579M] (88/99 = 89%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0400 | -61.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A,D531N] (94/99 = 95%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.0830 | -59.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I] (92/99 = 93%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.110 | -59.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,M537I] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.110 | -59.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,L579M] (87/99 = 88%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.190 | -57.7 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,D531N,M537I,A572V] (91/99 = 92%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.320 | -56.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
University of Florida College of Medicine | Assay Description The inhibition constant, Ki was determined by monitoring the competitive inhibition of the hydrolysis of the chromogenic substrate. | Biochemistry 42: 15029-35 (2003) Article DOI: 10.1021/bi035701y BindingDB Entry DOI: 10.7270/Q2V122ZV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587] (93/99 = 94%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.330 | -56.3 | n/a | n/a | n/a | n/a | n/a | 6.0 | 37 |
Japan Energy Corporation | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Substrates and cleavage fragments... | J Med Chem 42: 1789-802 (1999) Article DOI: 10.1021/jm980637h BindingDB Entry DOI: 10.7270/Q2MG7MP3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,L552P,A560V,V571A,I573V,L579M] (89/99 = 90%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 0.550 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,M535I,I543V,L552P,A560V,V571A,I573V,L579M] (87/99 = 88%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [489-587,K509R,V521I,L522F,M525I,I543V,L552P,A560V,V571A,I573V,L579M] (88/99 = 89%)† (Human immunodeficiency virus type 1) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Florida College of Medicine | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 43: 12141-51 (2004) Article DOI: 10.1021/bi049459m BindingDB Entry DOI: 10.7270/Q2V69GTD | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (90/99 = 91%)† (Human immunodeficiency virus 1 (HIV-1)) | BDBM580 ((4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylph...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MCE MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | 2.73E+3 | n/a | n/a | n/a | n/a |
Kobe Gakuin University Curated by ChEMBL | Assay Description Inhibition of protease L10F/V32I/M46I/I47V/Q58E/I84V mutant in HIV1 A17 infected in human MT4 cells assessed as reduction in virus-induced cytopathic... | J Med Chem 61: 5138-5153 (2018) Article DOI: 10.1021/acs.jmedchem.7b01709 BindingDB Entry DOI: 10.7270/Q2T15651 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |