Target family: A1: Pepsin (type: enzyme)
Target: beta-secretase 1

Ligand: compound 13 [PMID: 23412139] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.109999656677246 pKi
Reference (Journal): Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction.
Published in: ACS Med Chem Lett

Ligand: compound 15 [PMID: 25699151] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.520000457763672 pIC50
Reference (Journal): An Orally Available BACE1 Inhibitor That Affords Robust CNS Aβ Reduction without Cardiovascular Liabilities.
Published in: ACS Med Chem Lett

Ligand: compound 16 [PMID: 23412139] (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 8.770000457763672 pKi
Reference (Journal): Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aβ Reduction.
Published in: ACS Med Chem Lett

Ligand: compound 2 [PMID: 22911925] (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 8.260000228881836 pIC50
Reference (Journal): Establishing the relationship between in vitro potency, pharmacokinetic, and pharmacodynamic parameters in a series of orally available, hydroxyethylamine-derived β-secretase inhibitors.
Published in: J Pharmacol Exp Ther

Ligand: compound 3l [PMID: 30637955] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.090000152587891 pKi
Reference (Journal): Highly Selective and Potent Human β-Secretase 2 (BACE2) Inhibitors against Type 2 Diabetes: Design, Synthesis, X-ray Structure and Structure-Activity Relationship Studies.
Published in: ChemMedChem

Ligand: compound 6 [PMID: 34553947] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 9.890000343322754 pKi
Reference (Journal): Discovery of Extremely Selective Fused Pyridine-Derived β-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
Published in: J Med Chem

Ligand: compound 9 [PMID: 26937601] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.300000190734863 pKi
Reference (Journal): Structure-Based Design of an Iminoheterocyclic β-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aβ in Nonhuman Primates.
Published in: J Med Chem

Ligand: compound J [PMID: 21907142] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.739999771118164 pIC50
Reference (Journal): Bace2 is a β cell-enriched protease that regulates pancreatic β cell function and mass.
Published in: Cell Metab

Ligand: elenbecestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.149999618530273 pIC50
Reference (Patent): Fused aminodihydrothiazine derivatives

Ligand: example 2 [WO2013004676] (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.590000152587891 pIC50
Reference (Journal): Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors.
Published in: ACS Med Chem Lett

Ligand: JNJ-67569762 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.569999694824219 pIC50
Reference (Journal): JNJ-67569762, A 2-Aminotetrahydropyridine-Based Selective BACE1 Inhibitor Targeting the S3 Pocket: From Discovery to Clinical Candidate.
Published in: J Med Chem

Ligand: lanabecestat (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 8.65999984741211 pIC50
Reference (Journal): Compounds and Their Use as BACE Inhibitors: Patent Highlight.
Published in: ACS Med Chem Lett

Ligand: LY2811376 (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 6.619999885559082 pIC50
Reference (Journal): Robust central reduction of amyloid-β in humans with an orally available, non-peptidic β-secretase inhibitor.
Published in: J Neurosci

Ligand: LY2886721 (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 7.699999809265137 pIC50
Reference (Journal): Preclinical characterizathion of LY2886721: A BACE1 inhibitor in clinical development for early Alzheimer's disease.
Published in: Alzheimers Dement

Ligand: LY3202626 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 6.210000038146973 pIC50
Reference (Journal): Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor.
Published in: J Med Chem

Ligand: NB-360 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 8.300000190734863 pIC50
Reference (Journal): A novel BACE inhibitor NB-360 shows a superior pharmacological profile and robust reduction of amyloid-β and neuroinflammation in APP transgenic mice.
Published in: Mol Neurodegener

Ligand: oxazine 89 (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 7.920000076293945 pIC50
Reference (Journal): β-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.
Published in: J Med Chem

Ligand: PF-06684511 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 9.149999618530273 pIC50
Reference (Journal): Identification of a Novel Positron Emission Tomography (PET) Ligand for Imaging β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE-1) in Brain.
Published in: J Med Chem

Ligand: PF-06751979 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 8.140000343322754 pIC50
Reference (Journal): Design and Synthesis of Clinical Candidate PF-06751979: A Potent, Brain Penetrant, β-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor Lacking Hypopigmentation.
Published in: J Med Chem

Ligand: RO5508887 (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: yes
Median affinity: 7.519999980926514 pIC50
Reference (Journal): Combined treatment with a BACE inhibitor and anti-Aβ antibody gantenerumab enhances amyloid reduction in APPLondon mice.
Published in: J Neurosci

Ligand: TAK-070 (Synthetic organic)
Interaction type: Inhibitor
Action: Non-competitive
Ligand approved: no
Primary target: yes
Median affinity: 4.71999979019165 pKi
Reference (Journal): A noncompetitive BACE1 inhibitor TAK-070 ameliorates Abeta pathology and behavioral deficits in a mouse model of Alzheimer's disease.
Published in: J Neurosci

Ligand: umibecestat (Synthetic organic)
Interaction type: Inhibitor
Action: Inhibition
Ligand approved: no
Primary target: no
Median affinity: 7.960000038146973 pIC50
Reference (Journal): Discovery of Umibecestat (CNP520): A Potent, Selective, and Efficacious &#x3b2;-Secretase (BACE1) Inhibitor for the Prevention of Alzheimer's Disease.
Published in: J Med Chem

Ligand: verubecestat (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: no
Median affinity: 9.470000267028809 pKi
Reference (Journal): Discovery of Extremely Selective Fused Pyridine-Derived β-Site Amyloid Precursor Protein-Cleaving Enzyme (BACE1) Inhibitors with High In Vivo Efficacy through 10s Loop Interactions.
Published in: J Med Chem

Ligand: verubecestat (Synthetic organic)
Interaction type: Inhibitor
Action: Competitive
Ligand approved: no
Primary target: yes
Median affinity: 8.760000228881836 pKi
Reference (Patent): Iminothiadiazine dioxide compounds as BACE inhibitors, compositions, and their use.