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 [514-612] (Human immunodeficiency virus type 2) | BDBM729 ((2S,4R)-N-tert-butyl-1-[(2R,3S)-2-hydroxy-3-[(2S)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.130 | -58.7 | 10 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim Pharmaceuticals Inc. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 43: 1094-108 (2000) Article DOI: 10.1021/jm990336n BindingDB Entry DOI: 10.7270/Q2BZ647F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM517 ((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.32 | -49.2 | n/a | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Assay of HIV protease inhibition was performed by peptide cleavage using the substrate Val-Ser-Gln-Asn-beta-naphthylalanine*Pro-Ile-Val. Products of ... | Proc Natl Acad Sci U S A 91: 4096-100 (1994) Article DOI: 10.1073/pnas.91.9.4096 BindingDB Entry DOI: 10.7270/Q23F4MS9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM870 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 32 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 16 | -46.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM966 (5PhBuCOOH deriv. | Statine deriv. 49 | Tle-Val-Sta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM857 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 3 | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 19 | -45.8 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM858 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 23 |...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 27 | -44.9 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM770 (4-hydroxy-6-(1-phenylbutan-2-yl)-3-(1-phenylpropyl...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Upjohn | Assay Description HIV-1 protease was purified and refolded from E. coli inclusion bodies. The substrate used spans the p17-p24 processing site (R-V-S-Q-N-Y-P-I-V-Q-N-K... | J Med Chem 37: 3200-4 (1994) Article DOI: 10.1021/jm00046a002 BindingDB Entry DOI: 10.7270/Q2KK98XK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM936 (5PhBuCOOH deriv. | Statine deriv. 16 | Tle-Val-Sta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 39 | -44.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM875 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 2 | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 50 | -43.3 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM967 (5PhBuCOOH deriv. | Statine deriv. 50 | Tle-Val-Sta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 52 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM942 (5PhBuCOOH deriv. | Statine deriv. 22 | Tle-Val-Sta...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 54 | -43.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM968 ((2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmeth...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM969 ((2R,3R,4S)-N-[(1S)-1-[(1H-1,3-benzodiazol-2-ylmeth...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM964 (2-Aminobenzyl-Substituted AHPPA deriv. 1 | 5PhBuCO...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM874 (1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 1 | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 120 | -41.1 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Sandoz Research Institute | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 39: 3291-9 (1996) Article DOI: 10.1021/jm950641i BindingDB Entry DOI: 10.7270/Q2P84935 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM926 (5PhBuCOOH deriv. | Statine deriv. 6 | Tle-Val-Sta ...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 180 | -40.0 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
SANDOZ Forschungsinstitut Ges.m.b.H. | Assay Description Enzymatic activity was measured by following cleavage of the substrate H-Lys-Ala-Arg-Val-Leu-pNph-Glu-Ala-Nle-NH2. Products of the cleavage reaction ... | J Med Chem 37: 3079-89 (1994) Article DOI: 10.1021/jm00045a013 BindingDB Entry DOI: 10.7270/Q21J97XV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1250 ((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1249 ((2S)-N-[(2S,3R)-4-[(2R)-2-tert-butyl-N-(pentan-3-y...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1248 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 38 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1247 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S)-3-m...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 42 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1252 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 135 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [514-612] (Human immunodeficiency virus type 2) | BDBM1251 ((2R)-2-tert-butyl-N-[(2R,3S)-2-hydroxy-3-[(2S,3R)-...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 185 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim (Canada) Ltd. | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 40: 2164-76 (1997) Article DOI: 10.1021/jm9606608 BindingDB Entry DOI: 10.7270/Q2R20ZJW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |