BDBM184 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[3-(1H-imidazol-2-yl)phenyl]methyl})-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis[[3-(1H-imidazol-2-yl)phenyl]methyl]-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one::CHEMBL434019::Cyclic Urea
SMILES: O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(Cc2cccc(c2)-c2ncc[nH]2)C(=O)N(Cc2cccc(c2)-c2ncc[nH]2)[C@@H]1Cc1ccccc1
InChI Key: InChIKey=LTSTXUQEHQNBBZ-NWJWHWDBSA-N
Data: 2 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) | BDBM184 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.160 | 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 | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM184 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.160 | -13.9 | n/a | n/a | n/a | n/a | n/a | 5.5 | 37 |
DuPont Merck Pharmaceutical Company | Assay Description Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a... | J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M | |||||||||||
More data for this Ligand-Target Pair |