BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Date of publication Date in BindingDB Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID PubChem SID ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence 1 PDB ID(s) of Target Chain 1 UniProt (SwissProt) Recommended Name of Target Chain 1 UniProt (SwissProt) Entry Name of Target Chain 1 UniProt (SwissProt) Primary ID of Target Chain 1 UniProt (SwissProt) Secondary ID(s) of Target Chain 1 UniProt (SwissProt) Alternative ID(s) of Target Chain 1 UniProt (TrEMBL) Submitted Name of Target Chain 1 UniProt (TrEMBL) Entry Name of Target Chain 1 UniProt (TrEMBL) Primary ID of Target Chain 1 UniProt (TrEMBL) Secondary ID(s) of Target Chain 1 UniProt (TrEMBL) Alternative ID(s) of Target Chain 1 BindingDB Target Chain Sequence 2 PDB ID(s) of Target Chain 2 UniProt (SwissProt) Recommended Name of Target Chain 2 UniProt (SwissProt) Entry Name of Target Chain 2 UniProt (SwissProt) Primary ID of Target Chain 2 UniProt (SwissProt) Secondary ID(s) of Target Chain 2 UniProt (SwissProt) Alternative ID(s) of Target Chain 2 UniProt (TrEMBL) Submitted Name of Target Chain 2 UniProt (TrEMBL) Entry Name of Target Chain 2 UniProt (TrEMBL) Primary ID of Target Chain 2 UniProt (TrEMBL) Secondary ID(s) of Target Chain 2 UniProt (TrEMBL) Alternative ID(s) of Target Chain 2 BindingDB Target Chain Sequence 3 PDB ID(s) of Target Chain 3 UniProt (SwissProt) Recommended Name of Target Chain 3 UniProt (SwissProt) Entry Name of Target Chain 3 UniProt (SwissProt) Primary ID of Target Chain 3 UniProt (SwissProt) Secondary ID(s) of Target Chain 3 UniProt (SwissProt) Alternative ID(s) of Target Chain 3 UniProt (TrEMBL) Submitted Name of Target Chain 3 UniProt (TrEMBL) Entry Name of Target Chain 3 UniProt (TrEMBL) Primary ID of Target Chain 3 UniProt (TrEMBL) Secondary ID(s) of Target Chain 3 UniProt (TrEMBL) Alternative ID(s) of Target Chain 3 BindingDB Target Chain Sequence 4 PDB ID(s) of Target Chain 4 UniProt (SwissProt) Recommended Name of Target Chain 4 UniProt (SwissProt) Entry Name of Target Chain 4 UniProt (SwissProt) Primary ID of Target Chain 4 UniProt (SwissProt) Secondary ID(s) of Target Chain 4 UniProt (SwissProt) Alternative ID(s) of Target Chain 4 UniProt (TrEMBL) Submitted Name of Target Chain 4 UniProt (TrEMBL) Entry Name of Target Chain 4 UniProt (TrEMBL) Primary ID of Target Chain 4 UniProt (TrEMBL) Secondary ID(s) of Target Chain 4 UniProt (TrEMBL) Alternative ID(s) of Target Chain 4 BindingDB Target Chain Sequence 5 PDB ID(s) of Target Chain 5 UniProt (SwissProt) Recommended Name of Target Chain 5 UniProt (SwissProt) Entry Name of Target Chain 5 UniProt (SwissProt) Primary ID of Target Chain 5 UniProt (SwissProt) Secondary ID(s) of Target Chain 5 UniProt (SwissProt) Alternative ID(s) of Target Chain 5 UniProt (TrEMBL) Submitted Name of Target Chain 5 UniProt (TrEMBL) Entry Name of Target Chain 5 UniProt (TrEMBL) Primary ID of Target Chain 5 UniProt (TrEMBL) Secondary ID(s) of Target Chain 5 UniProt (TrEMBL) Alternative ID(s) of Target Chain 5 BindingDB Target Chain Sequence 6 PDB ID(s) of Target Chain 6 UniProt (SwissProt) Recommended Name of Target Chain 6 UniProt (SwissProt) Entry Name of Target Chain 6 UniProt (SwissProt) Primary ID of Target Chain 6 UniProt (SwissProt) Secondary ID(s) of Target Chain 6 UniProt (SwissProt) Alternative ID(s) of Target Chain 6 UniProt (TrEMBL) Submitted Name of Target Chain 6 UniProt (TrEMBL) Entry Name of Target Chain 6 UniProt (TrEMBL) Primary ID of Target Chain 6 UniProt (TrEMBL) Secondary ID(s) of Target Chain 6 UniProt (TrEMBL) Alternative ID(s) of Target Chain 6 BindingDB Target Chain Sequence 7 PDB ID(s) of Target Chain 7 UniProt (SwissProt) Recommended Name of Target Chain 7 UniProt (SwissProt) Entry Name of Target Chain 7 UniProt (SwissProt) Primary ID of Target Chain 7 UniProt (SwissProt) Secondary ID(s) of Target Chain 7 UniProt (SwissProt) Alternative ID(s) of Target Chain 7 UniProt (TrEMBL) Submitted Name of Target Chain 7 UniProt (TrEMBL) Entry Name of Target Chain 7 UniProt (TrEMBL) Primary ID of Target Chain 7 UniProt (TrEMBL) Secondary ID(s) of Target Chain 7 UniProt (TrEMBL) Alternative ID(s) of Target Chain 7 BindingDB Target Chain Sequence 8 PDB ID(s) of Target Chain 8 UniProt (SwissProt) Recommended Name of Target Chain 8 UniProt (SwissProt) Entry Name of Target Chain 8 UniProt (SwissProt) Primary ID of Target Chain 8 UniProt (SwissProt) Secondary ID(s) of Target Chain 8 UniProt (SwissProt) Alternative ID(s) of Target Chain 8 UniProt (TrEMBL) Submitted Name of Target Chain 8 UniProt (TrEMBL) Entry Name of Target Chain 8 UniProt (TrEMBL) Primary ID of Target Chain 8 UniProt (TrEMBL) Secondary ID(s) of Target Chain 8 UniProt (TrEMBL) Alternative ID(s) of Target Chain 8 BindingDB Target Chain Sequence 9 PDB ID(s) of Target Chain 9 UniProt (SwissProt) Recommended Name of Target Chain 9 UniProt (SwissProt) Entry Name of Target Chain 9 UniProt (SwissProt) Primary ID of Target Chain 9 UniProt (SwissProt) Secondary ID(s) of Target Chain 9 UniProt (SwissProt) Alternative ID(s) of Target Chain 9 UniProt (TrEMBL) Submitted Name of Target Chain 9 UniProt (TrEMBL) Entry Name of Target Chain 9 UniProt (TrEMBL) Primary ID of Target Chain 9 UniProt (TrEMBL) Secondary ID(s) of Target Chain 9 UniProt (TrEMBL) Alternative ID(s) of Target Chain 9 BindingDB Target Chain Sequence 10 PDB ID(s) of Target Chain 10 UniProt (SwissProt) Recommended Name of Target Chain 10 UniProt (SwissProt) Entry Name of Target Chain 10 UniProt (SwissProt) Primary ID of Target Chain 10 UniProt (SwissProt) Secondary ID(s) of Target Chain 10 UniProt (SwissProt) Alternative ID(s) of Target Chain 10 UniProt (TrEMBL) Submitted Name of Target Chain 10 UniProt (TrEMBL) Entry Name of Target Chain 10 UniProt (TrEMBL) Primary ID of Target Chain 10 UniProt (TrEMBL) Secondary ID(s) of Target Chain 10 UniProt (TrEMBL) Alternative ID(s) of Target Chain 10 BindingDB Target Chain Sequence 11 PDB ID(s) of Target Chain 11 UniProt (SwissProt) Recommended Name of Target Chain 11 UniProt (SwissProt) Entry Name of Target Chain 11 UniProt (SwissProt) Primary ID of Target Chain 11 UniProt (SwissProt) Secondary ID(s) of Target Chain 11 UniProt (SwissProt) Alternative ID(s) of Target Chain 11 UniProt (TrEMBL) Submitted Name of Target Chain 11 UniProt (TrEMBL) Entry Name of Target Chain 11 UniProt (TrEMBL) Primary ID of Target Chain 11 UniProt (TrEMBL) Secondary ID(s) of Target Chain 11 UniProt (TrEMBL) Alternative ID(s) of Target Chain 11 BindingDB Target Chain Sequence 12 PDB ID(s) of Target Chain 12 UniProt (SwissProt) Recommended Name of Target Chain 12 UniProt (SwissProt) Entry Name of Target Chain 12 UniProt (SwissProt) Primary ID of Target Chain 12 UniProt (SwissProt) Secondary ID(s) of Target Chain 12 UniProt (SwissProt) Alternative ID(s) of Target Chain 12 UniProt (TrEMBL) Submitted Name of Target Chain 12 UniProt (TrEMBL) Entry Name of Target Chain 12 UniProt (TrEMBL) Primary ID of Target Chain 12 UniProt (TrEMBL) Secondary ID(s) of Target Chain 12 UniProt (TrEMBL) Alternative ID(s) of Target Chain 12 BindingDB Target Chain Sequence 13 PDB ID(s) of Target Chain 13 UniProt (SwissProt) Recommended Name of Target Chain 13 UniProt (SwissProt) Entry Name of Target Chain 13 UniProt (SwissProt) Primary ID of Target Chain 13 UniProt (SwissProt) Secondary ID(s) of Target Chain 13 UniProt (SwissProt) Alternative ID(s) of Target Chain 13 UniProt (TrEMBL) Submitted Name of Target Chain 13 UniProt (TrEMBL) Entry Name of Target Chain 13 UniProt (TrEMBL) Primary ID of Target Chain 13 UniProt (TrEMBL) Secondary ID(s) of Target Chain 13 UniProt (TrEMBL) Alternative ID(s) of Target Chain 13 BindingDB Target Chain Sequence 14 PDB ID(s) of Target Chain 14 UniProt (SwissProt) Recommended Name of Target Chain 14 UniProt (SwissProt) Entry Name of Target Chain 14 UniProt (SwissProt) Primary ID of Target Chain 14 UniProt (SwissProt) Secondary ID(s) of Target Chain 14 UniProt (SwissProt) Alternative ID(s) of Target Chain 14 UniProt (TrEMBL) Submitted Name of Target Chain 14 UniProt (TrEMBL) Entry Name of Target Chain 14 UniProt (TrEMBL) Primary ID of Target Chain 14 UniProt (TrEMBL) Secondary ID(s) of Target Chain 14 UniProt (TrEMBL) Alternative ID(s) of Target Chain 14 BindingDB Target Chain Sequence 15 PDB ID(s) of Target Chain 15 UniProt (SwissProt) Recommended Name of Target Chain 15 UniProt (SwissProt) Entry Name of Target Chain 15 UniProt (SwissProt) Primary ID of Target Chain 15 UniProt (SwissProt) Secondary ID(s) of Target Chain 15 UniProt (SwissProt) Alternative ID(s) of Target Chain 15 UniProt (TrEMBL) Submitted Name of Target Chain 15 UniProt (TrEMBL) Entry Name of Target Chain 15 UniProt (TrEMBL) Primary ID of Target Chain 15 UniProt (TrEMBL) Secondary ID(s) of Target Chain 15 UniProt (TrEMBL) Alternative ID(s) of Target Chain 15 BindingDB Target Chain Sequence 16 PDB ID(s) of Target Chain 16 UniProt (SwissProt) Recommended Name of Target Chain 16 UniProt (SwissProt) Entry Name of Target Chain 16 UniProt (SwissProt) Primary ID of Target Chain 16 UniProt (SwissProt) Secondary ID(s) of Target Chain 16 UniProt (SwissProt) Alternative ID(s) of Target Chain 16 UniProt (TrEMBL) Submitted Name of Target Chain 16 UniProt (TrEMBL) Entry Name of Target Chain 16 UniProt (TrEMBL) Primary ID of Target Chain 16 UniProt (TrEMBL) Secondary ID(s) of Target Chain 16 UniProt (TrEMBL) Alternative ID(s) of Target Chain 16 BindingDB Target Chain Sequence 17 PDB ID(s) of Target Chain 17 UniProt (SwissProt) Recommended Name of Target Chain 17 UniProt (SwissProt) Entry Name of Target Chain 17 UniProt (SwissProt) Primary ID of Target Chain 17 UniProt (SwissProt) Secondary ID(s) of Target Chain 17 UniProt (SwissProt) Alternative ID(s) of Target Chain 17 UniProt (TrEMBL) Submitted Name of Target Chain 17 UniProt (TrEMBL) Entry Name of Target Chain 17 UniProt (TrEMBL) Primary ID of Target Chain 17 UniProt (TrEMBL) Secondary ID(s) of Target Chain 17 UniProt (TrEMBL) Alternative ID(s) of Target Chain 17 BindingDB Target Chain Sequence 18 PDB ID(s) of Target Chain 18 UniProt (SwissProt) Recommended Name of Target Chain 18 UniProt (SwissProt) Entry Name of Target Chain 18 UniProt (SwissProt) Primary ID of Target Chain 18 UniProt (SwissProt) Secondary ID(s) of Target Chain 18 UniProt (SwissProt) Alternative ID(s) of Target Chain 18 UniProt (TrEMBL) Submitted Name of Target Chain 18 UniProt (TrEMBL) Entry Name of Target Chain 18 UniProt (TrEMBL) Primary ID of Target Chain 18 UniProt (TrEMBL) Secondary ID(s) of Target Chain 18 UniProt (TrEMBL) Alternative ID(s) of Target Chain 18 BindingDB Target Chain Sequence 19 PDB ID(s) of Target Chain 19 UniProt (SwissProt) Recommended Name of Target Chain 19 UniProt (SwissProt) Entry Name of Target Chain 19 UniProt (SwissProt) Primary ID of Target Chain 19 UniProt (SwissProt) Secondary ID(s) of Target Chain 19 UniProt (SwissProt) Alternative ID(s) of Target Chain 19 UniProt (TrEMBL) Submitted Name of Target Chain 19 UniProt (TrEMBL) Entry Name of Target Chain 19 UniProt (TrEMBL) Primary ID of Target Chain 19 UniProt (TrEMBL) Secondary ID(s) of Target Chain 19 UniProt (TrEMBL) Alternative ID(s) of Target Chain 19 BindingDB Target Chain Sequence 20 PDB ID(s) of Target Chain 20 UniProt (SwissProt) Recommended Name of Target Chain 20 UniProt (SwissProt) Entry Name of Target Chain 20 UniProt (SwissProt) Primary ID of Target Chain 20 UniProt (SwissProt) Secondary ID(s) of Target Chain 20 UniProt (SwissProt) Alternative ID(s) of Target Chain 20 UniProt (TrEMBL) Submitted Name of Target Chain 20 UniProt (TrEMBL) Entry Name of Target Chain 20 UniProt (TrEMBL) Primary ID of Target Chain 20 UniProt (TrEMBL) Secondary ID(s) of Target Chain 20 UniProt (TrEMBL) Alternative ID(s) of Target Chain 20 BindingDB Target Chain Sequence 21 PDB ID(s) of Target Chain 21 UniProt (SwissProt) Recommended Name of Target Chain 21 UniProt (SwissProt) Entry Name of Target Chain 21 UniProt (SwissProt) Primary ID of Target Chain 21 UniProt (SwissProt) Secondary ID(s) of Target Chain 21 UniProt (SwissProt) Alternative ID(s) of Target Chain 21 UniProt (TrEMBL) Submitted Name of Target Chain 21 UniProt (TrEMBL) Entry Name of Target Chain 21 UniProt (TrEMBL) Primary ID of Target Chain 21 UniProt (TrEMBL) Secondary ID(s) of Target Chain 21 UniProt (TrEMBL) Alternative ID(s) of Target Chain 21 BindingDB Target Chain Sequence 22 PDB ID(s) of Target Chain 22 UniProt (SwissProt) Recommended Name of Target Chain 22 UniProt (SwissProt) Entry Name of Target Chain 22 UniProt (SwissProt) Primary ID of Target Chain 22 UniProt (SwissProt) Secondary ID(s) of Target Chain 22 UniProt (SwissProt) Alternative ID(s) of Target Chain 22 UniProt (TrEMBL) Submitted Name of Target Chain 22 UniProt (TrEMBL) Entry Name of Target Chain 22 UniProt (TrEMBL) Primary ID of Target Chain 22 UniProt (TrEMBL) Secondary ID(s) of Target Chain 22 UniProt (TrEMBL) Alternative ID(s) of Target Chain 22 BindingDB Target Chain Sequence 23 PDB ID(s) of Target Chain 23 UniProt (SwissProt) Recommended Name of Target Chain 23 UniProt (SwissProt) Entry Name of Target Chain 23 UniProt (SwissProt) Primary ID of Target Chain 23 UniProt (SwissProt) Secondary ID(s) of Target Chain 23 UniProt (SwissProt) Alternative ID(s) of Target Chain 23 UniProt (TrEMBL) Submitted Name of Target Chain 23 UniProt (TrEMBL) Entry Name of Target Chain 23 UniProt (TrEMBL) Primary ID of Target Chain 23 UniProt (TrEMBL) Secondary ID(s) of Target Chain 23 UniProt (TrEMBL) Alternative ID(s) of Target Chain 23 BindingDB Target Chain Sequence 24 PDB ID(s) of Target Chain 24 UniProt (SwissProt) Recommended Name of Target Chain 24 UniProt (SwissProt) Entry Name of Target Chain 24 UniProt (SwissProt) Primary ID of Target Chain 24 UniProt (SwissProt) Secondary ID(s) of Target Chain 24 UniProt (SwissProt) Alternative ID(s) of Target Chain 24 UniProt (TrEMBL) Submitted Name of Target Chain 24 UniProt (TrEMBL) Entry Name of Target Chain 24 UniProt (TrEMBL) Primary ID of Target Chain 24 UniProt (TrEMBL) Secondary ID(s) of Target Chain 24 UniProt (TrEMBL) Alternative ID(s) of Target Chain 24 BindingDB Target Chain Sequence 25 PDB ID(s) of Target Chain 25 UniProt (SwissProt) Recommended Name of Target Chain 25 UniProt (SwissProt) Entry Name of Target Chain 25 UniProt (SwissProt) Primary ID of Target Chain 25 UniProt (SwissProt) Secondary ID(s) of Target Chain 25 UniProt (SwissProt) Alternative ID(s) of Target Chain 25 UniProt (TrEMBL) Submitted Name of Target Chain 25 UniProt (TrEMBL) Entry Name of Target Chain 25 UniProt (TrEMBL) Primary ID of Target Chain 25 UniProt (TrEMBL) Secondary ID(s) of Target Chain 25 UniProt (TrEMBL) Alternative ID(s) of Target Chain 25 BindingDB Target Chain Sequence 26 PDB ID(s) of Target Chain 26 UniProt (SwissProt) Recommended Name of Target Chain 26 UniProt (SwissProt) Entry Name of Target Chain 26 UniProt (SwissProt) Primary ID of Target Chain 26 UniProt (SwissProt) Secondary ID(s) of Target Chain 26 UniProt (SwissProt) Alternative ID(s) of Target Chain 26 UniProt (TrEMBL) Submitted Name of Target Chain 26 UniProt (TrEMBL) Entry Name of Target Chain 26 UniProt (TrEMBL) Primary ID of Target Chain 26 UniProt (TrEMBL) Secondary ID(s) of Target Chain 26 UniProt (TrEMBL) Alternative ID(s) of Target Chain 26 BindingDB Target Chain Sequence 27 PDB ID(s) of Target Chain 27 UniProt (SwissProt) Recommended Name of Target Chain 27 UniProt (SwissProt) Entry Name of Target Chain 27 UniProt (SwissProt) Primary ID of Target Chain 27 UniProt (SwissProt) Secondary ID(s) of Target Chain 27 UniProt (SwissProt) Alternative ID(s) of Target Chain 27 UniProt (TrEMBL) Submitted Name of Target Chain 27 UniProt (TrEMBL) Entry Name of Target Chain 27 UniProt (TrEMBL) Primary ID of Target Chain 27 UniProt (TrEMBL) Secondary ID(s) of Target Chain 27 UniProt (TrEMBL) Alternative ID(s) of Target Chain 27 BindingDB Target Chain Sequence 28 PDB ID(s) of Target Chain 28 UniProt (SwissProt) Recommended Name of Target Chain 28 UniProt (SwissProt) Entry Name of Target Chain 28 UniProt (SwissProt) Primary ID of Target Chain 28 UniProt (SwissProt) Secondary ID(s) of Target Chain 28 UniProt (SwissProt) Alternative ID(s) of Target Chain 28 UniProt (TrEMBL) Submitted Name of Target Chain 28 UniProt (TrEMBL) Entry Name of Target Chain 28 UniProt (TrEMBL) Primary ID of Target Chain 28 UniProt (TrEMBL) Secondary ID(s) of Target Chain 28 UniProt (TrEMBL) Alternative ID(s) of Target Chain 28 BindingDB Target Chain Sequence 29 PDB ID(s) of Target Chain 29 UniProt (SwissProt) Recommended Name of Target Chain 29 UniProt (SwissProt) Entry Name of Target Chain 29 UniProt (SwissProt) Primary ID of Target Chain 29 UniProt (SwissProt) Secondary ID(s) of Target Chain 29 UniProt (SwissProt) Alternative ID(s) of Target Chain 29 UniProt (TrEMBL) Submitted Name of Target Chain 29 UniProt (TrEMBL) Entry Name of Target Chain 29 UniProt (TrEMBL) Primary ID of Target Chain 29 UniProt (TrEMBL) Secondary ID(s) of Target Chain 29 UniProt (TrEMBL) Alternative ID(s) of Target Chain 29 BindingDB Target Chain Sequence 30 PDB ID(s) of Target Chain 30 UniProt (SwissProt) Recommended Name of Target Chain 30 UniProt (SwissProt) Entry Name of Target Chain 30 UniProt (SwissProt) Primary ID of Target Chain 30 UniProt (SwissProt) Secondary ID(s) of Target Chain 30 UniProt (SwissProt) Alternative ID(s) of Target Chain 30 UniProt (TrEMBL) Submitted Name of Target Chain 30 UniProt (TrEMBL) Entry Name of Target Chain 30 UniProt (TrEMBL) Primary ID of Target Chain 30 UniProt (TrEMBL) Secondary ID(s) of Target Chain 30 UniProt (TrEMBL) Alternative ID(s) of Target Chain 30 BindingDB Target Chain Sequence 31 PDB ID(s) of Target Chain 31 UniProt (SwissProt) Recommended Name of Target Chain 31 UniProt (SwissProt) Entry Name of Target Chain 31 UniProt (SwissProt) Primary ID of Target Chain 31 UniProt (SwissProt) Secondary ID(s) of Target Chain 31 UniProt (SwissProt) Alternative ID(s) of Target Chain 31 UniProt (TrEMBL) Submitted Name of Target Chain 31 UniProt (TrEMBL) Entry Name of Target Chain 31 UniProt (TrEMBL) Primary ID of Target Chain 31 UniProt (TrEMBL) Secondary ID(s) of Target Chain 31 UniProt (TrEMBL) Alternative ID(s) of Target Chain 31 BindingDB Target Chain Sequence 32 PDB ID(s) of Target Chain 32 UniProt (SwissProt) Recommended Name of Target Chain 32 UniProt (SwissProt) Entry Name of Target Chain 32 UniProt (SwissProt) Primary ID of Target Chain 32 UniProt (SwissProt) Secondary ID(s) of Target Chain 32 UniProt (SwissProt) Alternative ID(s) of Target Chain 32 UniProt (TrEMBL) Submitted Name of Target Chain 32 UniProt (TrEMBL) Entry Name of Target Chain 32 UniProt (TrEMBL) Primary ID of Target Chain 32 UniProt (TrEMBL) Secondary ID(s) of Target Chain 32 UniProt (TrEMBL) Alternative ID(s) of Target Chain 32 BindingDB Target Chain Sequence 33 PDB ID(s) of Target Chain 33 UniProt (SwissProt) Recommended Name of Target Chain 33 UniProt (SwissProt) Entry Name of Target Chain 33 UniProt (SwissProt) Primary ID of Target Chain 33 UniProt (SwissProt) Secondary ID(s) of Target Chain 33 UniProt (SwissProt) Alternative ID(s) of Target Chain 33 UniProt (TrEMBL) Submitted Name of Target Chain 33 UniProt (TrEMBL) Entry Name of Target Chain 33 UniProt (TrEMBL) Primary ID of Target Chain 33 UniProt (TrEMBL) Secondary ID(s) of Target Chain 33 UniProt (TrEMBL) Alternative ID(s) of Target Chain 33 BindingDB Target Chain Sequence 34 PDB ID(s) of Target Chain 34 UniProt (SwissProt) Recommended Name of Target Chain 34 UniProt (SwissProt) Entry Name of Target Chain 34 UniProt (SwissProt) Primary ID of Target Chain 34 UniProt (SwissProt) Secondary ID(s) of Target Chain 34 UniProt (SwissProt) Alternative ID(s) of Target Chain 34 UniProt (TrEMBL) Submitted Name of Target Chain 34 UniProt (TrEMBL) Entry Name of Target Chain 34 UniProt (TrEMBL) Primary ID of Target Chain 34 UniProt (TrEMBL) Secondary ID(s) of Target Chain 34 UniProt (TrEMBL) Alternative ID(s) of Target Chain 34 BindingDB Target Chain Sequence 35 PDB ID(s) of Target Chain 35 UniProt (SwissProt) Recommended Name of Target Chain 35 UniProt (SwissProt) Entry Name of Target Chain 35 UniProt (SwissProt) Primary ID of Target Chain 35 UniProt (SwissProt) Secondary ID(s) of Target Chain 35 UniProt (SwissProt) Alternative ID(s) of Target Chain 35 UniProt (TrEMBL) Submitted Name of Target Chain 35 UniProt (TrEMBL) Entry Name of Target Chain 35 UniProt (TrEMBL) Primary ID of Target Chain 35 UniProt (TrEMBL) Secondary ID(s) of Target Chain 35 UniProt (TrEMBL) Alternative ID(s) of Target Chain 35 BindingDB Target Chain Sequence 36 PDB ID(s) of Target Chain 36 UniProt (SwissProt) Recommended Name of Target Chain 36 UniProt (SwissProt) Entry Name of Target Chain 36 UniProt (SwissProt) Primary ID of Target Chain 36 UniProt (SwissProt) Secondary ID(s) of Target Chain 36 UniProt (SwissProt) Alternative ID(s) of Target Chain 36 UniProt (TrEMBL) Submitted Name of Target Chain 36 UniProt (TrEMBL) Entry Name of Target Chain 36 UniProt (TrEMBL) Primary ID of Target Chain 36 UniProt (TrEMBL) Secondary ID(s) of Target Chain 36 UniProt (TrEMBL) Alternative ID(s) of Target Chain 36 BindingDB Target Chain Sequence 37 PDB ID(s) of Target Chain 37 UniProt (SwissProt) Recommended Name of Target Chain 37 UniProt (SwissProt) Entry Name of Target Chain 37 UniProt (SwissProt) Primary ID of Target Chain 37 UniProt (SwissProt) Secondary ID(s) of Target Chain 37 UniProt (SwissProt) Alternative ID(s) of Target Chain 37 UniProt (TrEMBL) Submitted Name of Target Chain 37 UniProt (TrEMBL) Entry Name of Target Chain 37 UniProt (TrEMBL) Primary ID of Target Chain 37 UniProt (TrEMBL) Secondary ID(s) of Target Chain 37 UniProt (TrEMBL) Alternative ID(s) of Target Chain 37 BindingDB Target Chain Sequence 38 PDB ID(s) of Target Chain 38 UniProt (SwissProt) Recommended Name of Target Chain 38 UniProt (SwissProt) Entry Name of Target Chain 38 UniProt (SwissProt) Primary ID of Target Chain 38 UniProt (SwissProt) Secondary ID(s) of Target Chain 38 UniProt (SwissProt) Alternative ID(s) of Target Chain 38 UniProt (TrEMBL) Submitted Name of Target Chain 38 UniProt (TrEMBL) Entry Name of Target Chain 38 UniProt (TrEMBL) Primary ID of Target Chain 38 UniProt (TrEMBL) Secondary ID(s) of Target Chain 38 UniProt (TrEMBL) Alternative ID(s) of Target Chain 38 BindingDB Target Chain Sequence 39 PDB ID(s) of Target Chain 39 UniProt (SwissProt) Recommended Name of Target Chain 39 UniProt (SwissProt) Entry Name of Target Chain 39 UniProt (SwissProt) Primary ID of Target Chain 39 UniProt (SwissProt) Secondary ID(s) of Target Chain 39 UniProt (SwissProt) Alternative ID(s) of Target Chain 39 UniProt (TrEMBL) Submitted Name of Target Chain 39 UniProt (TrEMBL) Entry Name of Target Chain 39 UniProt (TrEMBL) Primary ID of Target Chain 39 UniProt (TrEMBL) Secondary ID(s) of Target Chain 39 UniProt (TrEMBL) Alternative ID(s) of Target Chain 39 BindingDB Target Chain Sequence 40 PDB ID(s) of Target Chain 40 UniProt (SwissProt) Recommended Name of Target Chain 40 UniProt (SwissProt) Entry Name of Target Chain 40 UniProt (SwissProt) Primary ID of Target Chain 40 UniProt (SwissProt) Secondary ID(s) of Target Chain 40 UniProt (SwissProt) Alternative ID(s) of Target Chain 40 UniProt (TrEMBL) Submitted Name of Target Chain 40 UniProt (TrEMBL) Entry Name of Target Chain 40 UniProt (TrEMBL) Primary ID of Target Chain 40 UniProt (TrEMBL) Secondary ID(s) of Target Chain 40 UniProt (TrEMBL) Alternative ID(s) of Target Chain 40 BindingDB Target Chain Sequence 41 PDB ID(s) of Target Chain 41 UniProt (SwissProt) Recommended Name of Target Chain 41 UniProt (SwissProt) Entry Name of Target Chain 41 UniProt (SwissProt) Primary ID of Target Chain 41 UniProt (SwissProt) Secondary ID(s) of Target Chain 41 UniProt (SwissProt) Alternative ID(s) of Target Chain 41 UniProt (TrEMBL) Submitted Name of Target Chain 41 UniProt (TrEMBL) Entry Name of Target Chain 41 UniProt (TrEMBL) Primary ID of Target Chain 41 UniProt (TrEMBL) Secondary ID(s) of Target Chain 41 UniProt (TrEMBL) Alternative ID(s) of Target Chain 41 BindingDB Target Chain Sequence 42 PDB ID(s) of Target Chain 42 UniProt (SwissProt) Recommended Name of Target Chain 42 UniProt (SwissProt) Entry Name of Target Chain 42 UniProt (SwissProt) Primary ID of Target Chain 42 UniProt (SwissProt) Secondary ID(s) of Target Chain 42 UniProt (SwissProt) Alternative ID(s) of Target Chain 42 UniProt (TrEMBL) Submitted Name of Target Chain 42 UniProt (TrEMBL) Entry Name of Target Chain 42 UniProt (TrEMBL) Primary ID of Target Chain 42 UniProt (TrEMBL) Secondary ID(s) of Target Chain 42 UniProt (TrEMBL) Alternative ID(s) of Target Chain 42 BindingDB Target Chain Sequence 43 PDB ID(s) of Target Chain 43 UniProt (SwissProt) Recommended Name of Target Chain 43 UniProt (SwissProt) Entry Name of Target Chain 43 UniProt (SwissProt) Primary ID of Target Chain 43 UniProt (SwissProt) Secondary ID(s) of Target Chain 43 UniProt (SwissProt) Alternative ID(s) of Target Chain 43 UniProt (TrEMBL) Submitted Name of Target Chain 43 UniProt (TrEMBL) Entry Name of Target Chain 43 UniProt (TrEMBL) Primary ID of Target Chain 43 UniProt (TrEMBL) Secondary ID(s) of Target Chain 43 UniProt (TrEMBL) Alternative ID(s) of Target Chain 43 BindingDB Target Chain Sequence 44 PDB ID(s) of Target Chain 44 UniProt (SwissProt) Recommended Name of Target Chain 44 UniProt (SwissProt) Entry Name of Target Chain 44 UniProt (SwissProt) Primary ID of Target Chain 44 UniProt (SwissProt) Secondary ID(s) of Target Chain 44 UniProt (SwissProt) Alternative ID(s) of Target Chain 44 UniProt (TrEMBL) Submitted Name of Target Chain 44 UniProt (TrEMBL) Entry Name of Target Chain 44 UniProt (TrEMBL) Primary ID of Target Chain 44 UniProt (TrEMBL) Secondary ID(s) of Target Chain 44 UniProt (TrEMBL) Alternative ID(s) of Target Chain 44 BindingDB Target Chain Sequence 45 PDB ID(s) of Target Chain 45 UniProt (SwissProt) Recommended Name of Target Chain 45 UniProt (SwissProt) Entry Name of Target Chain 45 UniProt (SwissProt) Primary ID of Target Chain 45 UniProt (SwissProt) Secondary ID(s) of Target Chain 45 UniProt (SwissProt) Alternative ID(s) of Target Chain 45 UniProt (TrEMBL) Submitted Name of Target Chain 45 UniProt (TrEMBL) Entry Name of Target Chain 45 UniProt (TrEMBL) Primary ID of Target Chain 45 UniProt (TrEMBL) Secondary ID(s) of Target Chain 45 UniProt (TrEMBL) Alternative ID(s) of Target Chain 45 BindingDB Target Chain Sequence 46 PDB ID(s) of Target Chain 46 UniProt (SwissProt) Recommended Name of Target Chain 46 UniProt (SwissProt) Entry Name of Target Chain 46 UniProt (SwissProt) Primary ID of Target Chain 46 UniProt (SwissProt) Secondary ID(s) of Target Chain 46 UniProt (SwissProt) Alternative ID(s) of Target Chain 46 UniProt (TrEMBL) Submitted Name of Target Chain 46 UniProt (TrEMBL) Entry Name of Target Chain 46 UniProt (TrEMBL) Primary ID of Target Chain 46 UniProt (TrEMBL) Secondary ID(s) of Target Chain 46 UniProt (TrEMBL) Alternative ID(s) of Target Chain 46 BindingDB Target Chain Sequence 47 PDB ID(s) of Target Chain 47 UniProt (SwissProt) Recommended Name of Target Chain 47 UniProt (SwissProt) Entry Name of Target Chain 47 UniProt (SwissProt) Primary ID of Target Chain 47 UniProt (SwissProt) Secondary ID(s) of Target Chain 47 UniProt (SwissProt) Alternative ID(s) of Target Chain 47 UniProt (TrEMBL) Submitted Name of Target Chain 47 UniProt (TrEMBL) Entry Name of Target Chain 47 UniProt (TrEMBL) Primary ID of Target Chain 47 UniProt (TrEMBL) Secondary ID(s) of Target Chain 47 UniProt (TrEMBL) Alternative ID(s) of Target Chain 47 BindingDB Target Chain Sequence 48 PDB ID(s) of Target Chain 48 UniProt (SwissProt) Recommended Name of Target Chain 48 UniProt (SwissProt) Entry Name of Target Chain 48 UniProt (SwissProt) Primary ID of Target Chain 48 UniProt (SwissProt) Secondary ID(s) of Target Chain 48 UniProt (SwissProt) Alternative ID(s) of Target Chain 48 UniProt (TrEMBL) Submitted Name of Target Chain 48 UniProt (TrEMBL) Entry Name of Target Chain 48 UniProt (TrEMBL) Primary ID of Target Chain 48 UniProt (TrEMBL) Secondary ID(s) of Target Chain 48 UniProt (TrEMBL) Alternative ID(s) of Target Chain 48 BindingDB Target Chain Sequence 49 PDB ID(s) of Target Chain 49 UniProt (SwissProt) Recommended Name of Target Chain 49 UniProt (SwissProt) Entry Name of Target Chain 49 UniProt (SwissProt) Primary ID of Target Chain 49 UniProt (SwissProt) Secondary ID(s) of Target Chain 49 UniProt (SwissProt) Alternative ID(s) of Target Chain 49 UniProt (TrEMBL) Submitted Name of Target Chain 49 UniProt (TrEMBL) Entry Name of Target Chain 49 UniProt (TrEMBL) Primary ID of Target Chain 49 UniProt (TrEMBL) Secondary ID(s) of Target Chain 49 UniProt (TrEMBL) Alternative ID(s) of Target Chain 49 BindingDB Target Chain Sequence 50 PDB ID(s) of Target Chain 50 UniProt (SwissProt) Recommended Name of Target Chain 50 UniProt (SwissProt) Entry Name of Target Chain 50 UniProt (SwissProt) Primary ID of Target Chain 50 UniProt (SwissProt) Secondary ID(s) of Target Chain 50 UniProt (SwissProt) Alternative ID(s) of Target Chain 50 UniProt (TrEMBL) Submitted Name of Target Chain 50 UniProt (TrEMBL) Entry Name of Target Chain 50 UniProt (TrEMBL) Primary ID of Target Chain 50 UniProt (TrEMBL) Secondary ID(s) of Target Chain 50 UniProt (TrEMBL) Alternative ID(s) of Target Chain 50 50061496 Clc1cccc(CN2CCC(CCC(=O)c3ccc4N(Cc5ccccc5)CCCc4c3)CC2)c1 InChI=1S/C31H35ClN2O/c32-29-10-4-8-26(20-29)22-33-18-15-24(16-19-33)11-14-31(35)28-12-13-30-27(21-28)9-5-17-34(30)23-25-6-2-1-3-7-25/h1-4,6-8,10,12-13,20-21,24H,5,9,11,14-19,22-23H2 KOWXTIKVOVEEEX-UHFFFAOYSA-N 50039202 1-(1-Benzyl-1,2,3,4-tetrahydro-quinolin-6-yl)-3-[1-(3-chloro-benzyl)-piperidin-4-yl]-propan-1-one::CHEMBL414397 Acetylcholinesterase Rattus norvegicus 164 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039202 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039202&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 44313351 103946441 CHEMBL414397 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061497 Clc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1 InChI=1S/C23H27ClN2O/c24-21-5-1-18(2-6-21)16-26-13-10-17(11-14-26)3-8-23(27)20-4-7-22-19(15-20)9-12-25-22/h1-2,4-7,15,17,25H,3,8-14,16H2 NLEPKGFELHYOOA-UHFFFAOYSA-N 50039201 3-(1-(4-chlorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::3-[1-(4-Chloro-benzyl)-piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)-propan-1-one::CHEMBL75649 Acetylcholinesterase Rattus norvegicus 6360 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039201 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039201&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10022823 103946440 CHEMBL75649 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061498 CN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C24H30N2O/c1-25-14-13-21-17-22(8-9-23(21)25)24(27)10-7-19-11-15-26(16-12-19)18-20-5-3-2-4-6-20/h2-6,8-9,17,19H,7,10-16,18H2,1H3 VUEKQQFQMBNDTO-UHFFFAOYSA-N 50037171 3-(1-Benzyl-piperidin-4-yl)-1-(1-methyl-2,3-dihydro-1H-indol-5-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-methylindolin-5-yl)propan-1-one::CHEMBL311017 Acetylcholinesterase Rattus norvegicus 10 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037171 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037171&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10338707 103944749 CHEMBL311017 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061499 Fc1ccccc1CN1CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 InChI=1S/C25H31FN2O/c26-23-7-2-1-6-22(23)18-28-15-12-19(13-16-28)8-11-25(29)21-10-9-20-5-3-4-14-27-24(20)17-21/h1-2,6-7,9-10,17,19,27H,3-5,8,11-16,18H2 DJYSGFMAGPVHMB-UHFFFAOYSA-N 50039205 3-(1-(2-fluorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-[1-(2-Fluoro-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL75127 Acetylcholinesterase Rattus norvegicus 331.0 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039205 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039205&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10046173 103946444 CHEMBL75127 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061500 Clc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1 InChI=1S/C23H27ClN2O/c24-21-3-1-2-18(14-21)16-26-12-9-17(10-13-26)4-7-23(27)20-5-6-22-19(15-20)8-11-25-22/h1-3,5-6,14-15,17,25H,4,7-13,16H2 AGJAKWSYLMETMB-UHFFFAOYSA-N 50039204 3-(1-(3-chlorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)-propan-1-one::CHEMBL74809 Acetylcholinesterase Rattus norvegicus 59 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039204 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039204&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 9999994 103946443 CHEMBL74809 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061501 Fc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1 InChI=1S/C23H27FN2O/c24-21-5-1-18(2-6-21)16-26-13-10-17(11-14-26)3-8-23(27)20-4-7-22-19(15-20)9-12-25-22/h1-2,4-7,15,17,25H,3,8-14,16H2 IXXWKQBJYPNXDP-UHFFFAOYSA-N 50039203 3-(1-(4-fluorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(4-fluoro-benzyl)-piperidin-4-yl]-propan-1-one::CHEMBL74832 Acetylcholinesterase Rattus norvegicus 89 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039203 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039203&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 9998997 103946442 CHEMBL74832 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061502 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCNc2c1 InChI=1S/C24H30N2O/c27-24(22-10-9-21-7-4-14-25-23(21)17-22)11-8-19-12-15-26(16-13-19)18-20-5-2-1-3-6-20/h1-3,5-6,9-10,17,19,25H,4,7-8,11-16,18H2 KWRRGOAPOBYBJX-UHFFFAOYSA-N 50039206 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1,2,3,4-tetrahydro-quinolin-7-yl)-propan-1-one::CHEMBL73593 Acetylcholinesterase Rattus norvegicus 54 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039206 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039206&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10090059 103946445 CHEMBL73593 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061503 Fc1ccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)cc1 InChI=1S/C25H31FN2O/c26-23-9-4-20(5-10-23)18-28-15-12-19(13-16-28)6-11-25(29)22-8-7-21-3-1-2-14-27-24(21)17-22/h4-5,7-10,17,19,27H,1-3,6,11-16,18H2 QFWCNFLCMOTBIO-UHFFFAOYSA-N 50039207 3-[1-(4-Fluoro-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-(4-fluorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL76384 Acetylcholinesterase Rattus norvegicus 393 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039207 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039207&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10250049 103946446 CHEMBL76384 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061504 COc1ccccc1CN1CCC(CCC(=O)c2ccc3NCCc3c2)CC1 InChI=1S/C24H30N2O2/c1-28-24-5-3-2-4-21(24)17-26-14-11-18(12-15-26)6-9-23(27)20-7-8-22-19(16-20)10-13-25-22/h2-5,7-8,16,18,25H,6,9-15,17H2,1H3 WYTBKZXENKAXMI-UHFFFAOYSA-N 50039208 1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(2-methoxy-benzyl)-piperidin-4-yl]-propan-1-one::1-(indolin-5-yl)-3-(1-(2-methoxybenzyl)piperidin-4-yl)propan-1-one::CHEMBL306776 Acetylcholinesterase Rattus norvegicus 812.0 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039208 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039208&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 9976949 103946447 CHEMBL306776 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061505 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2N(Cc3ccccc3)CCc2c1 InChI=1S/C30H34N2O/c33-30(14-11-24-15-18-31(19-16-24)22-25-7-3-1-4-8-25)28-12-13-29-27(21-28)17-20-32(29)23-26-9-5-2-6-10-26/h1-10,12-13,21,24H,11,14-20,22-23H2 YCTWZDMIQMYEFZ-UHFFFAOYSA-N 50037140 1-(1-Benzyl-2,3-dihydro-1H-indol-5-yl)-3-(1-benzyl-piperidin-4-yl)-propan-1-one::CHEMBL73637 Acetylcholinesterase Rattus norvegicus 68 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037140 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037140&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10003267 103944718 CHEMBL73637 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061506 COc1ccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)cc1 InChI=1S/C26H34N2O2/c1-30-24-10-5-21(6-11-24)19-28-16-13-20(14-17-28)7-12-26(29)23-9-8-22-4-2-3-15-27-25(22)18-23/h5-6,8-11,18,20,27H,2-4,7,12-17,19H2,1H3 UHNUXPAANQWTDT-UHFFFAOYSA-N 50039209 3-(1-(4-methoxybenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-[1-(4-Methoxy-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL74533 Acetylcholinesterase Rattus norvegicus 55200 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039209&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 11742091 103946448 CHEMBL74533 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061507 CN1CCCc2cc(ccc12)C(=O)CCC1CCN(Cc2cccc(Cl)c2)CC1 InChI=1S/C25H31ClN2O/c1-27-13-3-5-21-17-22(8-9-24(21)27)25(29)10-7-19-11-14-28(15-12-19)18-20-4-2-6-23(26)16-20/h2,4,6,8-9,16-17,19H,3,5,7,10-15,18H2,1H3 JXYBORNWQKKIFX-UHFFFAOYSA-N 50039210 3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(1-methyl-1,2,3,4-tetrahydro-quinolin-6-yl)-propan-1-one::CHEMBL305739 Acetylcholinesterase Rattus norvegicus 24 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039210 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039210&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 44313354 103946449 CHEMBL305739 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061508 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCN(Cc3ccccc3)c2c1 InChI=1S/C31H36N2O/c34-31(16-13-25-17-20-32(21-18-25)23-26-8-3-1-4-9-26)29-15-14-28-12-7-19-33(30(28)22-29)24-27-10-5-2-6-11-27/h1-6,8-11,14-15,22,25H,7,12-13,16-21,23-24H2 KWRMPTCABKBHFI-UHFFFAOYSA-N 50039211 3-(1-Benzyl-piperidin-4-yl)-1-(1-benzyl-1,2,3,4-tetrahydro-quinolin-7-yl)-propan-1-one::CHEMBL444841 Acetylcholinesterase Rattus norvegicus 1490 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039211 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039211&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10321641 103946450 CHEMBL444841 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061509 CN1CCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C25H32N2O/c1-26-15-5-8-22-10-11-23(18-24(22)26)25(28)12-9-20-13-16-27(17-14-20)19-21-6-3-2-4-7-21/h2-4,6-7,10-11,18,20H,5,8-9,12-17,19H2,1H3 BWZUHISSAMBGLB-UHFFFAOYSA-N 50039212 3-(1-Benzyl-piperidin-4-yl)-1-(1-methyl-1,2,3,4-tetrahydro-quinolin-7-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-methyl-1,2,3,4-tetrahydroquinolin-7-yl)propan-1-one::CHEMBL76470 Acetylcholinesterase Rattus norvegicus 36 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039212 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039212&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10090965 103946451 CHEMBL76470 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061510 Clc1cccc(CN2CCC(CCC(=O)c3ccc4NCCCc4c3)CC2)c1 InChI=1S/C24H29ClN2O/c25-22-5-1-3-19(15-22)17-27-13-10-18(11-14-27)6-9-24(28)21-7-8-23-20(16-21)4-2-12-26-23/h1,3,5,7-8,15-16,18,26H,2,4,6,9-14,17H2 BEZSMSJCACDLQA-UHFFFAOYSA-N 50039213 3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(1,2,3,4-tetrahydro-quinolin-6-yl)-propan-1-one::CHEMBL74522 Acetylcholinesterase Rattus norvegicus 54 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039213 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039213&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 44313355 103946452 CHEMBL74522 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061511 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCNc2c1 InChI=1S/C25H32N2O/c28-25(23-11-10-22-8-4-5-15-26-24(22)18-23)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2 PMBLXLOXUGVTGB-UHFFFAOYSA-N 50037157 Zanapezil::3-(1-Benzyl-piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::TAK-147::CHEMBL75013 Acetylcholinesterase Rattus norvegicus 97.7 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037157 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037157&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 198752 103944735 CHEMBL75013 DB04859 C13424 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061512 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCN(Cc3ccccc3)c2c1 InChI=1S/C32H38N2O/c35-32(17-14-26-18-21-33(22-19-26)24-27-9-3-1-4-10-27)30-16-15-29-13-7-8-20-34(31(29)23-30)25-28-11-5-2-6-12-28/h1-6,9-12,15-16,23,26H,7-8,13-14,17-22,24-25H2 PRULHOMNCDTENF-UHFFFAOYSA-N 50037164 3-(1-Benzyl-piperidin-4-yl)-1-(1-benzyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::1-(1-benzyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one::CHEMBL74962 Acetylcholinesterase Rattus norvegicus 3140 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037164 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037164&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10073246 103944742 CHEMBL74962 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061513 CCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C27H36N2O/c1-2-29-17-7-6-10-24-12-13-25(20-26(24)29)27(30)14-11-22-15-18-28(19-16-22)21-23-8-4-3-5-9-23/h3-5,8-9,12-13,20,22H,2,6-7,10-11,14-19,21H2,1H3 NYVKEUVLHDSEJG-UHFFFAOYSA-N 50037183 3-(1-benzylpiperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL310467 Acetylcholinesterase Rattus norvegicus 376 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037183 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037183&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10408960 103944761 CHEMBL310467 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061514 COc1ccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)cc1 InChI=1S/C24H30N2O2/c1-28-22-6-2-19(3-7-22)17-26-14-11-18(12-15-26)4-9-24(27)21-5-8-23-20(16-21)10-13-25-23/h2-3,5-8,16,18,25H,4,9-15,17H2,1H3 YSZGSTXOLOPIQO-UHFFFAOYSA-N 50039214 1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(4-methoxy-benzyl)-piperidin-4-yl]-propan-1-one::1-(indolin-5-yl)-3-(1-(4-methoxybenzyl)piperidin-4-yl)propan-1-one::CHEMBL76108 Acetylcholinesterase Rattus norvegicus 13300 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039214 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039214&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10407316 103946453 CHEMBL76108 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061515 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCCCCNc2c1 InChI=1S/C26H34N2O/c29-26(24-12-11-23-9-5-2-6-16-27-25(23)19-24)13-10-21-14-17-28(18-15-21)20-22-7-3-1-4-8-22/h1,3-4,7-8,11-12,19,21,27H,2,5-6,9-10,13-18,20H2 WNWQLKAZJLNDJZ-UHFFFAOYSA-N 50039216 3-(1-benzylpiperidin-4-yl)-1-(1,2,3,4,5,6-hexahydrobenzo[b]azocin-9-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1,2,3,4,5,6-hexahydro-benzo[b]azocin-9-yl)-propan-1-one::CHEMBL74698 Acetylcholinesterase Rattus norvegicus 127 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039216 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039216&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 11741146 103946455 CHEMBL74698 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061516 Clc1ccccc1CN1CCC(CCC(=O)c2ccc3NCCc3c2)CC1 InChI=1S/C23H27ClN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2 DXOHWPHMWZTKSU-UHFFFAOYSA-N 50039215 3-(1-(2-chlorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::3-[1-(2-Chloro-benzyl)-piperidin-4-yl]-1-(2,3-dihydro-1H-indol-5-yl)-propan-1-one::CHEMBL306175 Acetylcholinesterase Rattus norvegicus 76 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039215 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039215&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10385270 103946454 CHEMBL306175 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061517 COc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1 InChI=1S/C24H30N2O2/c1-28-22-4-2-3-19(15-22)17-26-13-10-18(11-14-26)5-8-24(27)21-6-7-23-20(16-21)9-12-25-23/h2-4,6-7,15-16,18,25H,5,8-14,17H2,1H3 OQUGQBUZOCXPCA-UHFFFAOYSA-N 50039217 1-(indolin-5-yl)-3-(1-(3-methoxybenzyl)piperidin-4-yl)propan-1-one::1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(3-methoxy-benzyl)-piperidin-4-yl]-propan-1-one::CHEMBL73447 Acetylcholinesterase Rattus norvegicus 2680 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039217 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039217&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10385010 103946456 CHEMBL73447 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061518 [O-][N+](=O)c1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1 InChI=1S/C25H31N3O3/c29-25(22-9-8-21-5-1-2-13-26-24(21)17-22)10-7-19-11-14-27(15-12-19)18-20-4-3-6-23(16-20)28(30)31/h3-4,6,8-9,16-17,19,26H,1-2,5,7,10-15,18H2 CVBWSHNUOYZVMQ-UHFFFAOYSA-N 50039219 3-[1-(3-Nitro-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-(3-nitrobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL307832 Acetylcholinesterase Rattus norvegicus 390 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039219 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039219&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10047821 103946458 CHEMBL307832 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061519 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2NCCc2c1 InChI=1S/C23H28N2O/c26-23(21-7-8-22-20(16-21)10-13-24-22)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,16,18,24H,6,9-15,17H2 RTDPVOSMBHIAJV-UHFFFAOYSA-N 50037138 3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-1H-indol-5-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(indolin-5-yl)propan-1-one::CHEMBL75110 Acetylcholinesterase Rattus norvegicus 20 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037138 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037138&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10089125 103944716 CHEMBL75110 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061520 COc1ccccc1CN1CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 InChI=1S/C26H34N2O2/c1-30-26-8-3-2-7-23(26)19-28-16-13-20(14-17-28)9-12-25(29)22-11-10-21-6-4-5-15-27-24(21)18-22/h2-3,7-8,10-11,18,20,27H,4-6,9,12-17,19H2,1H3 IHHYWELXELLDTG-UHFFFAOYSA-N 50039218 3-(1-(2-methoxybenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-[1-(2-Methoxy-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL309173 Acetylcholinesterase Rattus norvegicus 2620 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039218 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039218&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10001409 103946457 CHEMBL309173 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061521 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCN(Cc3ccccc3)c2c1 InChI=1S/C30H34N2O/c33-30(14-11-24-15-18-31(19-16-24)22-25-7-3-1-4-8-25)28-13-12-27-17-20-32(29(27)21-28)23-26-9-5-2-6-10-26/h1-10,12-13,21,24H,11,14-20,22-23H2 NAMSGSSCIKIOGU-UHFFFAOYSA-N 50039220 1-(1-benzylindolin-6-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one::1-(1-Benzyl-2,3-dihydro-1H-indol-6-yl)-3-(1-benzyl-piperidin-4-yl)-propan-1-one::CHEMBL307693 Acetylcholinesterase Rattus norvegicus 853 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039220 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039220&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10094694 103946459 CHEMBL307693 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061522 Cc1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1 InChI=1S/C26H34N2O/c1-20-5-4-6-22(17-20)19-28-15-12-21(13-16-28)8-11-26(29)24-10-9-23-7-2-3-14-27-25(23)18-24/h4-6,9-10,17-18,21,27H,2-3,7-8,11-16,19H2,1H3 AIMKJRZZZYKDOX-UHFFFAOYSA-N 50039221 3-(1-(3-methylbenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-[1-(3-Methyl-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL74340 Acetylcholinesterase Rattus norvegicus 224 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039221 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039221&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10453018 103946460 CHEMBL74340 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061523 CCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C27H36N2O/c1-2-3-16-29-19-15-24-20-25(10-11-26(24)29)27(30)12-9-22-13-17-28(18-14-22)21-23-7-5-4-6-8-23/h4-8,10-11,20,22H,2-3,9,12-19,21H2,1H3 OXEYNPROGKVXDG-UHFFFAOYSA-N 50039222 3-(1-Benzyl-piperidin-4-yl)-1-(1-butyl-2,3-dihydro-1H-indol-5-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-butylindolin-5-yl)propan-1-one::CHEMBL74922 Acetylcholinesterase Rattus norvegicus 29 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039222 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039222&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10024209 103946461 CHEMBL74922 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061524 Clc1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1 InChI=1S/C25H31ClN2O/c26-23-6-3-4-20(16-23)18-28-14-11-19(12-15-28)7-10-25(29)22-9-8-21-5-1-2-13-27-24(21)17-22/h3-4,6,8-9,16-17,19,27H,1-2,5,7,10-15,18H2 MXJGEZDRKZVRGW-UHFFFAOYSA-N 50039225 3-(1-(3-chlorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-[1-(3-Chloro-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL420378 Acetylcholinesterase Rattus norvegicus 333 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039225 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039225&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10070183 103946464 CHEMBL420378 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061525 Cc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1 InChI=1S/C24H30N2O/c1-18-3-2-4-20(15-18)17-26-13-10-19(11-14-26)5-8-24(27)22-6-7-23-21(16-22)9-12-25-23/h2-4,6-7,15-16,19,25H,5,8-14,17H2,1H3 HANOAHGFQIRMPT-UHFFFAOYSA-N 50039223 1-(indolin-5-yl)-3-(1-(3-methylbenzyl)piperidin-4-yl)propan-1-one::1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(3-methyl-benzyl)-piperidin-4-yl]-propan-1-one::CHEMBL306179 Acetylcholinesterase Rattus norvegicus 50 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039223 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039223&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10451317 103946462 CHEMBL306179 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061526 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2NCCCCc2c1 InChI=1S/C25H32N2O/c28-25(23-10-11-24-22(18-23)8-4-5-15-26-24)12-9-20-13-16-27(17-14-20)19-21-6-2-1-3-7-21/h1-3,6-7,10-11,18,20,26H,4-5,8-9,12-17,19H2 RFJFEUOWKIHAMC-UHFFFAOYSA-N 50039224 3-(1-Benzyl-piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-yl)propan-1-one::CHEMBL75157 Acetylcholinesterase Rattus norvegicus 125 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039224 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039224&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 11740282 103946463 CHEMBL75157 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061527 Fc1ccccc1CN1CCC(CCC(=O)c2ccc3NCCc3c2)CC1 InChI=1S/C23H27FN2O/c24-21-4-2-1-3-20(21)16-26-13-10-17(11-14-26)5-8-23(27)19-6-7-22-18(15-19)9-12-25-22/h1-4,6-7,15,17,25H,5,8-14,16H2 YKTICKJUTVSZBR-UHFFFAOYSA-N 50039227 1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(2-fluoro-benzyl)-piperidin-4-yl]-propan-1-one::3-(1-(2-fluorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::CHEMBL73974 Acetylcholinesterase Rattus norvegicus 43 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039227 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039227&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 11726428 103946466 CHEMBL73974 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061528 COc1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1 InChI=1S/C26H34N2O2/c1-30-24-7-4-5-21(17-24)19-28-15-12-20(13-16-28)8-11-26(29)23-10-9-22-6-2-3-14-27-25(22)18-23/h4-5,7,9-10,17-18,20,27H,2-3,6,8,11-16,19H2,1H3 HPJURFKSTPRCQI-UHFFFAOYSA-N 50039228 3-[1-(3-Methoxy-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-(3-methoxybenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL72967 Acetylcholinesterase Rattus norvegicus 847 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039228 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039228&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10431485 103946467 CHEMBL72967 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061529 c1ccc2c(c1)c(c3c(n2)CCCC3)N InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) YLJREFDVOIBQDA-UHFFFAOYSA-N 8961 CHEMBL95::Cognex::cid_1935::CHEMBL1337960::1,2,3,4-tetrahydroacridin-9-amine::Tracine::tacrine.HCl::9-THA::1,2,3,4-tetrahydro-9-acridinamine::9-amino-1,2,3,4-tetrahydroacridine (THA)::Tacrine::US8999994, Tacrine Acetylcholinesterase Rattus norvegicus 270.9 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=8961 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=8961&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search THA 1ACJ,1MX1,2AOW,2AOX,4BDS,7XN1,8T5G 1935 46509736 CHEMBL1337960CHEMBL95 DB00382 C01453 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061530 CCCN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C28H38N2O/c1-2-17-30-18-7-6-10-25-12-13-26(21-27(25)30)28(31)14-11-23-15-19-29(20-16-23)22-24-8-4-3-5-9-24/h3-5,8-9,12-13,21,23H,2,6-7,10-11,14-20,22H2,1H3 YTVLWARKUSTOKZ-UHFFFAOYSA-N 50037165 3-(1-benzylpiperidin-4-yl)-1-(1-propyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1-propyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::CHEMBL307513 Acetylcholinesterase Rattus norvegicus 1330 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037165 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037165&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10341985 103944743 CHEMBL307513 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061531 Fc1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1 InChI=1S/C23H27FN2O/c24-21-3-1-2-18(14-21)16-26-12-9-17(10-13-26)4-7-23(27)20-5-6-22-19(15-20)8-11-25-22/h1-3,5-6,14-15,17,25H,4,7-13,16H2 HJLYQXGLGFBWQI-UHFFFAOYSA-N 50039226 1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(3-fluoro-benzyl)-piperidin-4-yl]-propan-1-one::3-(1-(3-fluorobenzyl)piperidin-4-yl)-1-(indolin-5-yl)propan-1-one::CHEMBL308807 Acetylcholinesterase Rattus norvegicus 16 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039226 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039226&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10090328 103946465 CHEMBL308807 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061532 [O-][N+](=O)c1cccc(CN2CCC(CCC(=O)c3ccc4NCCc4c3)CC2)c1 InChI=1S/C23H27N3O3/c27-23(20-5-6-22-19(15-20)8-11-24-22)7-4-17-9-12-25(13-10-17)16-18-2-1-3-21(14-18)26(28)29/h1-3,5-6,14-15,17,24H,4,7-13,16H2 ZZSQSKJDPPTMNT-UHFFFAOYSA-N 50039230 1-(indolin-5-yl)-3-(1-(3-nitrobenzyl)piperidin-4-yl)propan-1-one::1-(2,3-Dihydro-1H-indol-5-yl)-3-[1-(3-nitro-benzyl)-piperidin-4-yl]-propan-1-one::CHEMBL310918 Acetylcholinesterase Rattus norvegicus 64 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039230 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039230&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10249992 103946469 CHEMBL310918 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061533 CCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C26H34N2O/c1-2-15-28-18-14-23-19-24(9-10-25(23)28)26(29)11-8-21-12-16-27(17-13-21)20-22-6-4-3-5-7-22/h3-7,9-10,19,21H,2,8,11-18,20H2,1H3 VCGNGVUFQSTPML-UHFFFAOYSA-N 50037141 3-(1-benzylpiperidin-4-yl)-1-(1-propylindolin-5-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1-propyl-2,3-dihydro-1H-indol-5-yl)-propan-1-one::CHEMBL74560 Acetylcholinesterase Rattus norvegicus 22 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037141 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037141&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10249830 103944719 CHEMBL74560 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061534 CN1CCCCc2ccc(cc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C26H34N2O/c1-27-16-6-5-9-23-11-12-24(19-25(23)27)26(29)13-10-21-14-17-28(18-15-21)20-22-7-3-2-4-8-22/h2-4,7-8,11-12,19,21H,5-6,9-10,13-18,20H2,1H3 KFRWOMAUCWZWOD-UHFFFAOYSA-N 50037150 3-(1-Benzyl-piperidin-4-yl)-1-(1-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-methyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL74747 Acetylcholinesterase Rattus norvegicus 81 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037150 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037150&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10000487 103944728 CHEMBL74747 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061535 CCCCCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C28H38N2O/c1-2-3-7-17-30-20-16-25-21-26(11-12-27(25)30)28(31)13-10-23-14-18-29(19-15-23)22-24-8-5-4-6-9-24/h4-6,8-9,11-12,21,23H,2-3,7,10,13-20,22H2,1H3 GDTZPIJTUNXMBK-UHFFFAOYSA-N 50039231 3-(1-Benzyl-piperidin-4-yl)-1-(1-pentyl-2,3-dihydro-1H-indol-5-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(1-pentylindolin-5-yl)propan-1-one::CHEMBL73339 Acetylcholinesterase Rattus norvegicus 47 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039231 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039231&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10093505 103946470 CHEMBL73339 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061536 Fc1cccc(CN2CCC(CCC(=O)c3ccc4CCCCNc4c3)CC2)c1 InChI=1S/C25H31FN2O/c26-23-6-3-4-20(16-23)18-28-14-11-19(12-15-28)7-10-25(29)22-9-8-21-5-1-2-13-27-24(21)17-22/h3-4,6,8-9,16-17,19,27H,1-2,5,7,10-15,18H2 DPOHSBUWIGXUGW-UHFFFAOYSA-N 50039232 3-[1-(3-Fluoro-benzyl)-piperidin-4-yl]-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propan-1-one::3-(1-(3-fluorobenzyl)piperidin-4-yl)-1-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)propan-1-one::CHEMBL308093 Acetylcholinesterase Rattus norvegicus 145 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039232 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039232&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 11741355 103946471 CHEMBL308093 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061537 CCN1CCc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 InChI=1S/C25H32N2O/c1-2-27-17-14-22-18-23(9-10-24(22)27)25(28)11-8-20-12-15-26(16-13-20)19-21-6-4-3-5-7-21/h3-7,9-10,18,20H,2,8,11-17,19H2,1H3 RQRWFALEMPRRCW-UHFFFAOYSA-N 50037173 3-(1-benzylpiperidin-4-yl)-1-(1-ethylindolin-5-yl)propan-1-one::3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2,3-dihydro-1H-indol-5-yl)-propan-1-one::CHEMBL308793 Acetylcholinesterase Rattus norvegicus 11 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50037173 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50037173&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 9976843 103944751 CHEMBL308793 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136 50061538 O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2CCNc2c1 InChI=1S/C23H28N2O/c26-23(21-8-7-20-10-13-24-22(20)16-21)9-6-18-11-14-25(15-12-18)17-19-4-2-1-3-5-19/h1-5,7-8,16,18,24H,6,9-15,17H2 RJFOSTXNSIGOHV-UHFFFAOYSA-N 50039229 3-(1-Benzyl-piperidin-4-yl)-1-(2,3-dihydro-1H-indol-6-yl)-propan-1-one::3-(1-benzylpiperidin-4-yl)-1-(indolin-6-yl)propan-1-one::CHEMBL74359 Acetylcholinesterase Rattus norvegicus 113 ChEMBL 10.1021/jm00041a007 10.7270/Q2SX6C8G 8057278 Ishihara, Y; Hirai, K; Miyamoto, M; Goto, G 9/12/1994 11/10/2009 Takeda Chemical Industries http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50039229 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1043&target=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50039229&enzyme=Acetylcholinesterase&column=ki&startPg=0&Increment=50&submit=Search 10043367 103946468 CHEMBL74359 1 MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL 9OMT,9OMS,8DT7,8DT5,8DT4,8DT2,7RB7,7RB6,7RB5,6U3P,6U37,6U34,6O66,6O5V,6O5S,6O5R,6O52,6O50,6O4X,6O4W Acetylcholinesterase ACES_RAT P37136