Molecule Details
InChIKeyITBUOSMBIYYJMH-FQEVSTJZSA-N
Compound NameBace1-IN-13
Canonical SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)Cn4nc(C#N)cc4C(N)=N3)c2)cn1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL8.45
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P05067 APP Homo sapiens Human PF10515 PF12924 PF12925 PF02177 PF03494 PF00014 8.9 IC50 ChEMBL;BindingDB
P56817 BACE1 Homo sapiens Human PF00026 8.5 IC50 ChEMBL;BindingDB
Q9Y5Z0 BACE2 Homo sapiens Human PF00026 7.9 IC50 ChEMBL;BindingDB