BDBM339 (3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy-2-[3-(2-thienyl)benzyl]-7-[4-(2-thienyl)benzyl]-1,2,7-thiadiazepine 1,1-Dioxide::(3R,4S,5S,6R)-4,5-dihydroxy-3,6-bis(phenoxymethyl)-7-{[3-(thiophen-2-yl)phenyl]methyl}-2-{[4-(thiophen-2-yl)phenyl]methyl}-1,2,7-thiadiazepane-1,1-dione::Cyclic Sulfamide deriv. 17

SMILES: O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(Cc2ccc(cc2)-c2cccs2)[C@@H]1COc1ccccc1

InChI Key: InChIKey=BLJAEJBFZWHGMO-JFDQHVTASA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 339   

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)	BDBM339 ((3R,4S,5S,6R)-3,6-Bis(phenoxymethyl)-4,5-dihydroxy...) Show SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2cccc(c2)-c2cccs2)S(=O)(=O)N(Cc2ccc(cc2)-c2cccs2)[C@@H]1COc1ccccc1 |r| Show InChI InChI=1S/C40H38N2O6S3/c43-39-35(27-47-33-12-3-1-4-13-33)41(25-29-18-20-31(21-19-29)37-16-8-22-49-37)51(45,46)42(36(40(39)44)28-48-34-14-5-2-6-15-34)26-30-10-7-11-32(24-30)38-17-9-23-50-38/h1-24,35-36,39-40,43-44H,25-28H2/t35-,36-,39+,40+/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	-7.24	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
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