BDBM50046380 CHEMBL112546::{1-[1-Benzyl-3-(2-benzyloxycarbonylamino-3-methyl-butyrylamino)-2-hydroxy-4-phenyl-butylcarbamoyl]-2-methyl-propyl}-carbamic acid pyridin-4-ylmethyl ester
SMILES: CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccncc1)C(C)C
InChI Key: InChIKey=DSDWCXRXVMLBOA-ILOBPARPSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM50046380![]() (CHEMBL112546 | {1-[1-Benzyl-3-(2-benzyloxycarbonyl...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories Curated by ChEMBL | Assay Description Inhibition of purified recombinant HIV-1 protease in a fluorogenic assay | J Med Chem 36: 320-30 (1993) BindingDB Entry DOI: 10.7270/Q25B01J6 | |||||||||||
More data for this Ligand-Target Pair |