BDBM25371 (R)-(hydroxyethylamino)sulfonamide isostere, 3h::1,3-dioxan-5-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate::US8501961, 22::US8501961, 3h
SMILES: COc1ccc(cc1)S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1COCOC1
InChI Key: InChIKey=WJOVSXDCDUIEBO-LOSJGSFVSA-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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Protease (Human immunodeficiency virus type 1 group M subtyp...) | BDBM25371 ((R)-(hydroxyethylamino)sulfonamide isostere, 3h | ...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 0.0410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue Research Foundation US Patent | Assay Description Enzyme inhibitory assay utilizes a protocol described by Toth and Marshall (Toth, M. V.; Marshall G.R. A simple, continuous fluormetric assay for HIV... | US Patent US8501961 (2013) BindingDB Entry DOI: 10.7270/Q2TD9VZH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM25371 ((R)-(hydroxyethylamino)sulfonamide isostere, 3h | ...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0410 | -14.2 | 3.40 | n/a | n/a | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 51: 6021-33 (2008) Article DOI: 10.1021/jm8004543 BindingDB Entry DOI: 10.7270/Q2G15Z51 | |||||||||||
More data for this Ligand-Target Pair |