BDBM7037 (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis({[4-(methylsulfanyl)phenyl]methyl})-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phenylmethyl)-4,7-bis[[4-(methylthio)phenyl]methyl]-2H-1,3-diazapin-2-one::Substituted Cyclic Urea 25
SMILES: CSc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(SC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
InChI Key: InChIKey=BZDQGKJBMUHQGC-WZJLIZBTSA-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) | BDBM7037 ((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 | 3.40 | -12.0 | 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 39: 2156-69 (1996) Article DOI: 10.1021/jm960083n BindingDB Entry DOI: 10.7270/Q257197T | |||||||||||
More data for this Ligand-Target Pair |