BDBM7086 N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[3-(1H-1,3-benzodiazol-2-ylcarbamoyl)phenyl]methyl}-5,6-dihydroxy-4,7-bis[(4-hydroxyphenyl)methyl]-2-oxo-1,3-diazepan-1-yl]methyl}benzamide::SD146 Analog 7
SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccc(O)cc2)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)C(=O)N(Cc2cccc(c2)C(=O)Nc2nc3ccccc3[nH]2)[C@@H]1Cc1ccc(O)cc1
InChI Key: InChIKey=HRYSVKPTFVWINZ-QHQGJXSCSA-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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM7086 (N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-3-{[...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0350 | -14.8 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-... | Bioorg Med Chem Lett 8: 1077-82 (1998) Article DOI: 10.1016/s0960-894x(98)00175-9 BindingDB Entry DOI: 10.7270/Q21G0JGN | |||||||||||
More data for this Ligand-Target Pair |