BDBM12894 (5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]dioxole-5-sulfonyl)](isobutyl)amino]-1-benzyl-2-hydroxypropyl]-2-oxooxazolidine-5-carboxamide::(5S)-N-[(2S,3R)-4-[2H-1,3-benzodioxole-5-(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]-3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carboxamide::N-Aryl-oxazolidinone-5-carboxamide Analogue 26f
SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CN(C(=O)O1)c1ccc(cc1)C(C)=O)S(=O)(=O)c1ccc2OCOc2c1
InChI Key: InChIKey=AIOQZNXKOQUMQK-QXIHQKPUSA-N
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) | BDBM12894 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMBI Curated by ChEMBL | Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method | J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM12894 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0160 | 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 | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM12894 ((5S)-3-(4-Acetylphenyl)-N-[(1S,2R)-3-[[(benzo[1,3]...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UMBI Curated by ChEMBL | Assay Description Inhibition of HIV1 protease Q7K mutant by FRET method | J Med Chem 52: 737-54 (2009) Article DOI: 10.1021/jm8009525 BindingDB Entry DOI: 10.7270/Q2PN98FX | |||||||||||
More data for this Ligand-Target Pair |