BDBM50064599 (4R,5S,6S,7R)-1-(3-Amino-benzyl)-4,7-dibenzyl-5,6-dihydroxy-3-[3-(2H-pyrazol-3-yl)-benzyl]-[1,3]diazepan-2-one::CHEMBL60352
SMILES: Nc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)-c3cc[nH]n3)C2=O)c1
InChI Key: InChIKey=XRYNUFMTUIJXSU-WDKGQIBQSA-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) | BDBM50064599 ((4R,5S,6S,7R)-1-(3-Amino-benzyl)-4,7-dibenzyl-5,6-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC | J Med Chem 41: 2019-28 (1998) Article DOI: 10.1021/jm9704199 BindingDB Entry DOI: 10.7270/Q29K49B0 | |||||||||||
More data for this Ligand-Target Pair |