BDBM3407 2-Butanol deriv. 15::N-tert-butyl-4-{4-[1-(tert-butylcarbamoyl)naphthalen-2-yl]-2-hydroxybutyl}-1-(propan-2-yl)-1,2,5,6-tetrahydropyridine-3-carboxamide
SMILES: CC(C)N1CCC(CC(O)CCc2ccc3ccccc3c2C(=O)NC(C)(C)C)=C(C1)C(=O)NC(C)(C)C
InChI Key: InChIKey=LQZRQBAANWHPBV-UHFFFAOYSA-N
Data: 1 IC50
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) | BDBM3407 (2-Butanol deriv. 15 | N-tert-butyl-4-{4-[1-(tert-b...) | PDB MMDB B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | 7.00E+4 | 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 |