BDBM7018 (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(4-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)methyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis(phenylmethyl)-4,7-bis((4-methyl-3,4-dihydro-2H-benzo[b][1,4]-oxazin-6-yl)methyl-2H-1,3-diazapin-2-one::Cyclic Urea Based HIV-1 Protease Inhibitor 24
SMILES: CN1CCOc2ccc(C[C@@H]3[C@H](O)[C@@H](O)[C@@H](Cc4ccc5OCCN(C)c5c4)N(Cc4ccccc4)C(=O)N3Cc3ccccc3)cc12
InChI Key: InChIKey=SMDNSMSAGVSMIP-HVYOWVPISA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM7018 ((4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.700 | -13.0 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-... | J Med Chem 40: 1465-74 (1997) Article DOI: 10.1021/jm960839i BindingDB Entry DOI: 10.7270/Q29021Z4 | |||||||||||
More data for this Ligand-Target Pair |