BDBM326 (3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]-3,6-bis(phenoxymethyl)-4,5-dihydroxy-1,2,7-thiadiazepine 1,1-Dioxide::3-{[(3R,4S,5S,6R)-4,5-dihydroxy-7-{[3-(methylcarbamoyl)phenyl]methyl}-1,1-dioxo-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide::CHEMBL436262::Cyclic Sulfamide deriv. 4

SMILES CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(c3)C(=O)NC)S2(=O)=O)c1

InChI Key InChIKey=JXCRNYYHOBWABD-WZJLIZBTSA-N

Data  2 KI  1 Kd  1 Koff  1 Kon

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 326   

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

Curated by ChEMBL
LigandPNGBDBM326((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...)
Affinity DataKi:  6.20nM Kd:  675nM Koff:  4.99E+5s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM326((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...)
Affinity DataKi:  39nM ΔG°:  -10.3kcal/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 ArticlePubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM326((3R,4S,5S,6R)-2,7-Bis[3-(N-methylcarbamoyl)benzyl]...)
Affinity DataKon:  0.263M-1s-1Assay Description:Association rate constant for the interaction between inhibitor and HIV-1 proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed