BDBM16086 (2R,4S)-4-[(8R,11S,13aS,17aR)-11-methyl-10,13-dioxo-2H,5H,7H,8H,9H,10H,11H,12H,13H,13aH,14H,15H,16H,17H,17aH-pyrido[4,3-i][,,,]cyclopentadecan-8-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(3E,8R,11S,13aS,17aR)-11-methyl-10,13-dioxo-2,5,8,9,10,11,12,13,13a,14,15,16,17,17a-tetradecahydro-7H-pyrido[4,3-i][1,11,4,7]dithiadiazacyclopentadecin-8-yl]butanamide::bicyclic macrocycle compound 63

SMILES CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC\C=C\CS[C@H]2CNCC[C@H]2C(=O)N[C@@H](C)C(=O)N1

InChI Key InChIKey=LDEJWKJPGCUIHM-PXEGCOJBSA-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 = 16086   

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

LigandPNGBDBM16086((2R,4S)-4-[(8R,11S,13aS,17aR)-11-methyl-10,13-diox...)
Affinity DataIC50:  9.00E+3nMT: 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

LigandPNGBDBM16086((2R,4S)-4-[(8R,11S,13aS,17aR)-11-methyl-10,13-diox...)
Affinity DataIC50: >1.00E+4nMT: 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