Molecule Details
InChIKeyDRTWJAWLWULICG-GAIPOIILSA-N
Compound NameN-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-((S)-3-cyclohexylmethanesulfonylamino-7-methoxy-2-oxo-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl)-acetamide; TFA
Canonical SMILESCOc1ccc2c(c1)CC[C@H](NS(=O)(=O)CC1CCCCC1)C(=O)N2CC(=O)N[C@H]1CCCN(C(=N)N)C1O
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL7.75
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P07477 PRSS1 Homo sapiens Human PF00089 8.8 IC50 ChEMBL;BindingDB
P00742 F10 Homo sapiens Human PF00008 PF14670 PF00594 PF00089 8.4 IC50 ChEMBL;BindingDB
P00734 F2 Homo sapiens Human PF00594 PF00051 PF09396 PF00089 6.1 IC50 ChEMBL;BindingDB