BDBM383 (3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-1-phenylpentan-2-yl]carbamate::Urethane deriv. 2
SMILES: O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1
InChI Key: InChIKey=PKJPLBXKJRGYRL-NKGNNZHESA-N
Data: 5 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM383 ((3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <0.0300 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Protease products were analyzed o... | J Med Chem 36: 292-4 (1993) Article DOI: 10.1021/jm00054a015 BindingDB Entry DOI: 10.7270/Q25D8Q1G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM383 ((3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease | J Med Chem 40: 2440-4 (1997) Article DOI: 10.1021/jm970195u BindingDB Entry DOI: 10.7270/Q2WD417W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM383 ((3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad de Alcal£ Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease. | J Med Chem 41: 836-52 (1998) Article DOI: 10.1021/jm970535b BindingDB Entry DOI: 10.7270/Q21R6RTN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM383 ((3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of HIV-1 protease was determined in vitro | J Med Chem 38: 305-17 (1995) Checked by Author BindingDB Entry DOI: 10.7270/Q23T9G8M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM383 ((3S)-oxolan-3-yl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article | n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inhibitory activity against Human immunodeficiency virus (HIV-1) protease | Bioorg Med Chem Lett 4: 499-504 (1994) Article DOI: 10.1016/0960-894X(94)80025-1 BindingDB Entry DOI: 10.7270/Q2GM8777 | |||||||||||
More data for this Ligand-Target Pair |