BDBM9259 2-(allyloxy)-3-hydroxy-N-[(1S)-1-((1R)-1-hydroxy-2-{isobutyl[(4-methoxyphenyl)sulfonyl]amino}ethyl)hept-6-enyl]benzamide::3-hydroxy-N-[(2R,3S)-2-hydroxy-1-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]non-8-en-3-yl]-2-(prop-2-en-1-yloxy)benzamide::acyclic inhibitor 19
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](CCCCC=C)NC(=O)c1cccc(O)c1OCC=C
InChI Key: InChIKey=DYNLMGDLTIKXHD-XTEPFMGCSA-N
Data: 1 KI
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) | BDBM9259 (2-(allyloxy)-3-hydroxy-N-[(1S)-1-((1R)-1-hydroxy-2...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 12 | -10.8 | n/a | n/a | n/a | n/a | n/a | 6.4 | 25 |
University of Illinois at Chicago | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | J Med Chem 48: 3576-85 (2005) Article DOI: 10.1021/jm050019i BindingDB Entry DOI: 10.7270/Q2NS0S39 | |||||||||||
More data for this Ligand-Target Pair |