BDBM329 (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-2,7-bis[4-(2-thienyl)benzyl]-4,5-dihydroxy-1,2,7-thiadiazepine 1,1-Dioxide::(3R,4S,5S,6R)-4,5-dihydroxy-3,6-bis(phenoxymethyl)-2,7-bis({[4-(thiophen-2-yl)phenyl]methyl})-1,2,7-thiadiazepane-1,1-dione::CHEMBL345997::Cyclic Sulfamide deriv. 7
SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccc(cc2)-c2cccs2)S(=O)(=O)N(Cc2ccc(cc2)-c2cccs2)[C@@H]1COc1ccccc1
InChI Key: InChIKey=UMDCQGGNNGRKRN-JFDQHVTASA-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) | BDBM329 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-2,7-bis[4-(2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM329 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-2,7-bis[4-(2-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 920 | -8.37 | n/a | n/a | n/a | n/a | n/a | 5.0 | 30 |
Uppsala University | Assay Description A fluorimetric assay was used to determine the effects of the inhibitors on HIV-1 protease. This assay used an internally quenched fluorescent peptid... | J Med Chem 44: 155-69 (2001) Article DOI: 10.1021/jm001024j BindingDB Entry DOI: 10.7270/Q2JM27T6 | |||||||||||
More data for this Ligand-Target Pair |