BDBM16250 CHEMBL290001::N-(tert-butoxycarbonyl)-L-valyl-N-[(1S,2S,4R)-5-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]amino}-2-hydroxy-4-methyl-1-(2-methylpropyl)-5-oxopentyl]-L-methioninamide::Substrate-based BACE-1 inhibitor, 22::Tang hydroxyethylene inhibitor::peptidomimetic memapsin 2 inhibitor 2::tert-butyl N-[(1S)-1-{[(1S)-1-{[(1R,3S,4S)-1-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1,6-dimethylheptan-4-yl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-methylpropyl]carbamate
SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCc1ccccc1
InChI Key InChIKey=OTAKXFOXYSLTCG-KNSFHFJMSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 8 hits for monomerid = 16250
Affinity DataKi: 1.20nM ΔG°: -12.7kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
Affinity DataKi: 2.5nM ΔG°: -12.2kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
Affinity DataKi: 2.5nMAssay Description:In vitro inhibition of Beta-secretase-1 in HEK293 (Human Embryonic Kidney) cell line.More data for this Ligand-Target Pair
Affinity DataKi: 2.5nMAssay Description:Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...More data for this Ligand-Target Pair
Affinity DataKi: 2.5nM ΔG°: -12.2kcal/molepH: 4.5 T: 2°CAssay Description:Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record...More data for this Ligand-Target Pair
Affinity DataIC50: 3nMpH: 4.8 T: 2°CAssay Description:Beta-cleavage ELISA assays were carried out in reaction buffer containing enzyme, substrate MBP-C125, and test compounds. Generated beta-cleaved prod...More data for this Ligand-Target Pair
Affinity DataIC50: 500nMAssay Description:Selectivity tested against Beta-secretase 2 (BACE) in humanMore data for this Ligand-Target Pair
Affinity DataIC50: 2nMAssay Description:Compound was tested for its inhibitory activity against human beta-Secretase (BACE)More data for this Ligand-Target Pair