BDBM3406 (2S)-N-tert-butyl-1-[(2S)-4-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-2-hydroxybutyl]pyrrolidine-2-carboxamide::2-Butanol deriv. 14
SMILES: CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@@H](O)CCc1ccc2ccccc2c1C(=O)NC(C)(C)C
InChI Key: InChIKey=XBOGNLMHEACPHM-GMAHTHKFSA-N
Data: 1 Other
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) | BDBM3406 ((2S)-N-tert-butyl-1-[(2S)-4-[1-(tert-butylcarbamoy...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | n/a | n/a | n/a | 5.6 | 37 |
Agouron Pharmaceuticals, Inc. | Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache... | J Med Chem 39: 2781-94 (1996) Article DOI: 10.1021/jm960093o BindingDB Entry DOI: 10.7270/Q2K072F6 | |||||||||||
More data for this Ligand-Target Pair |