BDBM16081 Olefins were mixtures of cis and trans isomers.::oxygen-linked macrocycle compound 17::tert-butyl N-[(3S,6S,9R,13Z)-3-[(1S,3R)-3-(butylcarbamoyl)-1-hydroxy-3-methylpropyl]-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-9-yl]carbamate::tert-butyl {(3S,6S,9R,13Z)-3-[(1S,3R)-4-(butylamino)-1-hydroxy-3-methyl-4-oxobutyl]-6-methyl-5,8-dioxo-1-oxa-11-thia-4,7-diazacyclopentadec-13-en-9-yl}carbamate

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1COC\C=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1

InChI Key InChIKey=OSGQGACLOZKMGC-HZNHDJAFSA-N

Data  2 IC50

  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 2 hits for monomerid = 16081   

TargetCathepsin D(Homo sapiens (Human))
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16081(Olefins were mixtures of cis and trans isomers. | ...)
Affinity DataIC50:  110nMT: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-secretase 1 [1-453](Homo sapiens (Human))
Universite De Montreal At Succursale Centre-Ville

LigandPNGBDBM16081(Olefins were mixtures of cis and trans isomers. | ...)
Affinity DataIC50:  510nMT: 2°CAssay Description:Inhibition assays were done in black 96-well plates by adding test compounds to the respective enzyme in assay buffer. Plates were incubated at room ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed