BDBM50010501 CHEMBL321398::{1-[1-Benzyl-3-(3-tert-butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propylcarbamoyl]-2-carbamoyl-ethyl}-carbamic acid benzyl ester
SMILES: CC(C)(C)NC(=O)C1CC2CCCCC2CN1C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChI Key: InChIKey=KWJAFFUEDWUZAR-XZMQEHLKSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1) | BDBM50010501 (CHEMBL321398 | {1-[1-Benzyl-3-(3-tert-butylcarbamo...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Products Ltd. Curated by ChEMBL | Assay Description Binding activity against HIV-1 Protease | J Med Chem 34: 3340-2 (1991) BindingDB Entry DOI: 10.7270/Q2B858Q3 | |||||||||||
More data for this Ligand-Target Pair |