BDBM170 CHEMBL309557::Cyclic Urea::[4R-(4,5,6,7)]-Methyl 3-[[Hexahydro-5,6-dihyroxy-3-(1H-indazol-5-ylmethyl)-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]methyl]benzeneacetate::methyl 2-(3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-(1H-indazol-5-ylmethyl)-2-oxo-1,3-diazepan-1-yl]methyl}phenyl)acetate

SMILES COC(=O)Cc1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3ccc4[nH]ncc4c3)C2=O)c1

InChI Key InChIKey=NFLSBSNFRZFUJE-IHIHPJAWSA-N

Data  2 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 170   

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

Curated by ChEMBL
LigandPNGBDBM170(CHEMBL309557 | Cyclic Urea | [4R-(4,5,6,7)]-Methyl...)
Affinity DataKi:  0.110nMAssay Description:Inhibitory activity against HIV proteaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDimer of Gag-Pol polyprotein [501-599](Human immunodeficiency virus type 1)
Dupont Pharmaceuticals

LigandPNGBDBM170(CHEMBL309557 | Cyclic Urea | [4R-(4,5,6,7)]-Methyl...)
Affinity DataKi:  0.110nM ΔG°:  -14.1kcal/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 DepthDetails ArticlePubMed