BDBM50121730 CHEMBL366433::{1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dimethyl-phenoxy)-acetyl]-hydrazino}-2-hydroxy-3-oxo-1-((S)-phenylmethyl)-propylcarbamoyl]-2-methylsulfanyl-ethyl}-carbamic acid isoquinolin-5-ylmethyl ester
SMILES: CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C
InChI Key: InChIKey=YGNMRRZJWHABRJ-LYDQXETESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50121730 (CHEMBL366433 | {1-[(S)-3-{N-Benzyl-N'-[2-(2,6-dime...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto Pharmaceutical University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against HIV-1 protease | Bioorg Med Chem Lett 13: 93-6 (2002) BindingDB Entry DOI: 10.7270/Q2N29W9D | |||||||||||
More data for this Ligand-Target Pair |