BDBM1157 (4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one::Cyclic Urea 1a
SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1
InChI Key: InChIKey=SQBOSZXDOHQFAA-ZRTHHSRSSA-N
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 |
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HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM1157 ((4R,5S,6S,7R)-1,3-Dibenzyl-4,7-bis(phenoxymethyl)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | MMDB PC cid PC sid PDB UniChem Similars | MMDB Article PubMed | 12.2 | -11.2 | 80 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Uppsala University | Assay Description The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho... | J Med Chem 40: 885-97 (1997) Article DOI: 10.1021/jm960728j BindingDB Entry DOI: 10.7270/Q24B2ZGX | |||||||||||
More data for this Ligand-Target Pair |