BDBM50073262 CHEMBL333290::[2-((1S,2S,3R,4S)-1-Benzyl-4-tert-butoxycarbonylamino-2,3-dihydroxy-5-phenyl-pentylcarbamoyl)-phenyl]-carbamic acid pyridin-2-ylmethyl ester
SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1
InChI Key: InChIKey=LUPHHMLWZFHILP-ZWDYZTTJSA-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) | BDBM50073262 (CHEMBL333290 | [2-((1S,2S,3R,4S)-1-Benzyl-4-tert-b...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AIDS Drug Screening and Development Laboratory, SA Curated by ChEMBL | Assay Description Inhibitory activity against HIV protease | Bioorg Med Chem Lett 8: 3537-42 (1999) BindingDB Entry DOI: 10.7270/Q2HM57MB | |||||||||||
More data for this Ligand-Target Pair |