BDBM152 (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis(prop-2-en-1-yl)-1,3-diazepan-2-one::CHEMBL284314::XK216

SMILES O[C@@H]1[C@@H](O)[C@@H](Cc2ccccc2)N(CC=C)C(=O)N(CC=C)[C@@H]1Cc1ccccc1

InChI Key InChIKey=IWJSQELMWLOYSO-UHFFFAOYSA-N

Data  4 KI

  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 = 152   

TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM152(CHEMBL284314 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihy...)
Affinity DataKi:  4.60nM ΔG°:  -11.8kcal/molepH: 5.5 T: 2°CAssay Description:Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2001
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boston University

Curated by ChEMBL
LigandPNGBDBM152(CHEMBL284314 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihy...)
Affinity DataKi:  4.60nMAssay Description:Inhibition of HIV-1 Aspartic ProteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM152(CHEMBL284314 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihy...)
Affinity DataKi:  4.70nM ΔG°:  -11.8kcal/molepH: 5.5 T: 2°CAssay Description:Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2001
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Boston University

Curated by ChEMBL
LigandPNGBDBM152(CHEMBL284314 | (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihy...)
Affinity DataKi:  5.20nMAssay Description:Inhibition of HIV-1 proteaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed