BDBM1166 (4R,5S,6S,7R)-1,3-Bis{[4-(hydroxymethyl)phenyl]methyl}-4,7-bis(phenoxymethyl)-5,6-dihydroxy-1,3-diazepan-2-one::(4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-4,7-bis(phenoxymethyl)-1,3-diazepan-2-one::Cyclic Urea 7

SMILES OCc1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)C2=O)cc1

InChI Key InChIKey=AHMPQPOFMWFJEZ-UHFFFAOYSA-N

Data  1 KI  1 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 1166   

TargetProtease(Human immunodeficiency virus type 1)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM1166((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Affinity DataKd:  1.80nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 5.1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM1166((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Affinity DataKd:  7nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetProtease(Human immunodeficiency virus type 1)
Universidad De Santiago De Compostela

Curated by ChEMBL
LigandPNGBDBM1166((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Affinity DataKd:  1.80nMAssay Description:Binding affinity to Human immunodeficiency virus 1 protease by SPR biosensor interaction analysis at pH 4.1More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2020
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Uppsala University

LigandPNGBDBM1166((4R,5S,6S,7R)-5,6-dihydroxy-1,3-bis({[4-(hydroxyme...)
Affinity DataKi: <1nM ΔG°: <-12.8kcal/mole IC50: 10nMpH: 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 Depth
Date in BDB:
9/23/2004
Entry Details Article
PubMed