BDBM50014015 2-{2-[2-(3-tert-Butoxycarbonylamino-2-hydroxy-4-phenyl-butylamino)-3-phenyl-propionylamino]-3-methyl-pentanoylamino}-3-phenyl-propionic acid methyl ester::CHEMBL3143731::CHEMBL428854
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC
InChI Key: InChIKey=MYAVIZSWDHVTAO-UHFFFAOYSA-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) | BDBM50014015 (2-{2-[2-(3-tert-Butoxycarbonylamino-2-hydroxy-4-ph...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | 6.4 | n/a |
University of Wisconsin-Madison Curated by ChEMBL | Assay Description Inhibition of HIV protease at pH 6.4, 37 degree C | J Med Chem 33: 1285-8 (1990) BindingDB Entry DOI: 10.7270/Q2SB44QS | |||||||||||
More data for this Ligand-Target Pair |