BDBM7050 (4R,5S,6S,7R)-1,3-dibenzyl-5,6-dihydroxy-4,7-bis[(4-methoxyphenyl)methyl]-1,3-diazepan-2-one::(4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phenylmethyl)-4,7-bis[(4-methoxyphenyl)methyl]-2H-1,3-diazapin-2-one::CHEMBL68317::Substituted Cyclic Urea 38

SMILES COc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(OC)cc3)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1

InChI Key InChIKey=CSTCQSUDEYSHGI-UHFFFAOYSA-N

Data  2 KI

  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 2 hits for monomerid = 7050   

TargetDimer of Gag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM7050((4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phe...)
Affinity DataKi:  8.60nM ΔG°:  -11.4kcal/molepH: 5.5 T: 2°CAssay Description:Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/9/2006
Entry Details Article
PubMed
TargetGag-Pol polyprotein [489-587](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM7050((4R,5S,6S,7R)-Hexahydro-5,6-dihydroxy-1,3-bis-(phe...)
Affinity DataKi:  8.60nMAssay Description:HIV protease inhibition.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed