BDBM9669 N-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]dioxan-5-yl)methyl](1-methyl-1-phenylethyl)carbamoyl]-4-methylphenyl]3-hydroxybutyl]-N-(2-hydroxyethyl)benzamide::N-[(2,2-dimethyl-1,3-dioxan-5-yl)methyl]-2-(4-{2-[(1-ethylcyclopentyl)(2-hydroxyethyl)carbamoyl]phenyl}-2-hydroxybutyl)-5-methyl-N-(2-phenylpropan-2-yl)benzamide::Tertiary Amide deriv. 44
SMILES: CCC1(CCCC1)N(CCO)C(=O)c1ccccc1CCC(O)Cc1ccc(C)cc1C(=O)N(CC1COC(C)(C)OC1)C(C)(C)c1ccccc1
InChI Key: InChIKey=WPGHMMPZJWGJEU-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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM9669 (N-(1-Ethylcyclopentyl)-2-[4-[2-[(2,2-dimethyl[1,3]...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 4 | 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 |