BDBM50283359 CHEMBL83002::[(S)-1-(1-Benzyl-3,3-difluoro-4-morpholin-4-yl-2,4-dioxo-butylcarbamoyl)-2-methyl-propyl]-carbamic acid benzyl ester
SMILES: CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)N1CCOCC1
InChI Key: InChIKey=IAPSNUFKTLQEHJ-WCSIJFPASA-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) | BDBM50283359 (CHEMBL83002 | [(S)-1-(1-Benzyl-3,3-difluoro-4-morp...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Compound was tested for inactivation of purified HIV-1 protease in vitro | Bioorg Med Chem Lett 4: 241-246 (1994) Article DOI: 10.1016/S0960-894X(01)80122-0 BindingDB Entry DOI: 10.7270/Q2HQ3ZVF | |||||||||||
More data for this Ligand-Target Pair |