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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Dupont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibitory activity against HIV protease | J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description HIV protease inhibition. | Bioorg Med Chem Lett 8: 823-8 (1999) BindingDB Entry DOI: 10.7270/Q2DR2TMP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC | J Med Chem 41: 2019-28 (1998) Article DOI: 10.1021/jm9704199 BindingDB Entry DOI: 10.7270/Q29K49B0 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company | Assay Description Inhibition constant of HIV protease inhibitors | J Med Chem 42: 135-52 (1999) Article DOI: 10.1021/jm9803626 BindingDB Entry DOI: 10.7270/Q28050S9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lindsley F. Kimball Research Institute of The New York Blood Center Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease | J Med Chem 42: 249-59 (1999) Article DOI: 10.1021/jm980369n BindingDB Entry DOI: 10.7270/Q2JM28TM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Affinity of the compound against HIV protease | J Med Chem 40: 4079-88 (1998) Article DOI: 10.1021/jm970288b BindingDB Entry DOI: 10.7270/Q2XS5TG1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM151 ((4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-d...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity to inhibit the purified wild-type HIV-1 Protease | J Med Chem 40: 181-91 (1997) Article DOI: 10.1021/jm960586t BindingDB Entry DOI: 10.7270/Q2ST7NZ3 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |