BDBM16088 (2R,4S)-4-[(4aS,12R,15S,17aS)-15-methyl-14,17-dioxo-1H,2H,3H,4H,4aH,6H,9H,11H,12H,13H,14H,15H,16H,17H,17aH-pyrido[2,3-i][,,,]cyclopentadecan-12-yl]-N-butyl-4-hydroxy-2-methylbutanamide::(2R,4S)-N-butyl-4-hydroxy-2-methyl-4-[(4aS,7E,12R,15S,17aS)-15-methyl-14,17-dioxo-2,3,4,4a,6,9,11,12,13,14,15,16,17,17a-tetradecahydro-1H-pyrido[2,3-i][1,11,4,7]dithiadiazacyclopentadecin-12-yl]butanamide::AXF::BDF488::bicyclic macrocycle compound 52

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

InChI Key InChIKey=FIWCVIADXWJIGF-NFXSCPKSSA-N

Data  2 IC50

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 16088   

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

LigandPNGBDBM16088((2R,4S)-4-[(4aS,12R,15S,17aS)-15-methyl-14,17-diox...)
Affinity DataIC50:  10nMT: 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

LigandPNGBDBM16088((2R,4S)-4-[(4aS,12R,15S,17aS)-15-methyl-14,17-diox...)
Affinity DataIC50:  190nMT: 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