BDBM9671 1-[2-[N-(alpha,alpha-dimethylbenzyl)-N-ethylcarbamoyl]phenyl]-4-[2-[N-(1-ethylcyclopentyl)-N-(2-hydroxyethyl)carbamoyl]phenyl]-2-butanol::2-(4-{2-[ethyl(2-phenylpropan-2-yl)carbamoyl]phenyl}-3-hydroxybutyl)-N-(1-ethylcyclopentyl)-N-(2-hydroxyethyl)benzamide::Tertiary Amide deriv. 47
SMILES: CCN(C(=O)c1ccccc1CC(O)CCc1ccccc1C(=O)N(CCO)C1(CC)CCCC1)C(C)(C)c1ccccc1
InChI Key: InChIKey=NDRULGXLEDZQGT-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM9671 (1-[2-[N-(alpha,alpha-dimethylbenzyl)-N-ethylcarbam...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
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 was use... | J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG | |||||||||||
More data for this Ligand-Target Pair |