BDBM1163 (3R,4S,5S,6R)-2,7-Dibenzyl-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepan 1,1-Dioxide::(3R,4S,5S,6R)-2,7-dibenzyl-4,5-dihydroxy-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepane-1,1-dione::CHEMBL130998::Cyclic Sulfamide 4::Cyclic Sulfamide deriv. 19

SMILES O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc2ccccc2)S(=O)(=O)N(Cc2ccccc2)[C@@H]1COc1ccccc1

InChI Key InChIKey=CAGHBXQSDLNCES-UHFFFAOYSA-N

Data  4 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 1163   

TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM1163(CHEMBL130998 | Cyclic Sulfamide deriv. 19 | (3R,4S...)
Affinity DataKi:  19nMAssay Description:Inhibitory activity against HIV-1 Protease expressed in Escherichia coliMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM1163(CHEMBL130998 | Cyclic Sulfamide deriv. 19 | (3R,4S...)
Affinity DataKi:  19.1nM ΔG°:  -10.9kcal/mole IC50: 200nMpH: 5.5 T: 2°CAssay Description:The IC50 value is the inhibitor concentration that results in 50% of HIV-1 protease activity measured by a spectrophotometric assay using a chromopho...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM1163(CHEMBL130998 | Cyclic Sulfamide deriv. 19 | (3R,4S...)
Affinity DataKi:  19.1nMAssay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM1163(CHEMBL130998 | Cyclic Sulfamide deriv. 19 | (3R,4S...)
Affinity DataKi:  23nM ΔG°:  -10.6kcal/molepH: 5.0 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed