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 50043091 OC(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(13.02,-8,;13.53,-9.45,;12.32,-10.4,;12.62,-11.9,;11.14,-11.23,;11.42,-9.17,;10.86,-7.89,;10.86,-9.74,;9.25,-10.44,;9.46,-11.94,;15.04,-9.45,;15.81,-8.1,;17.34,-8.1,;18.14,-9.45,;17.37,-10.78,;15.81,-10.78,;19.68,-9.43,;20.44,-8.1,;21.97,-8.1,;22.75,-9.43,;21.98,-10.78,;20.44,-10.78,)| InChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2 UOKQVHGNNBRNDM-UHFFFAOYSA-N 50052369 (1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-yl-methanol::CHEMBL101863 Squalene synthase Rattus norvegicus 2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052369 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052369&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19967098 103949246 CHEMBL101863 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50043092 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2 WPCQYFUQHBLGAX-UHFFFAOYSA-N 50052351 3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol::3-biphenyl-4-yl-3-hydroxyquinuclidine::CHEMBL279261 Squalene synthase Rattus norvegicus 121 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052351 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052351&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9817140 103949228 CHEMBL279261 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086093 OC1(CN2CCC1CC2)c1ccc(cc1)C1OCCCO1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(11.68,-7.51,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;10.66,-8.12,;10.15,-6.94,;10.15,-8.64,;8.69,-9.28,;8.89,-10.66,;13.04,-9.25,;13.81,-10.6,;15.35,-10.6,;16.12,-9.25,;15.35,-7.92,;13.81,-7.92,;17.66,-9.25,;18.43,-7.94,;19.97,-7.94,;20.74,-9.27,;19.97,-10.6,;18.43,-10.6,)| InChI=1S/C17H23NO3/c19-17(12-18-8-6-15(17)7-9-18)14-4-2-13(3-5-14)16-20-10-1-11-21-16/h2-5,15-16,19H,1,6-12H2 YXISPSZRYQWDQP-UHFFFAOYSA-N 50052340 3-(4-[1,3]Dioxan-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL102110 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052340 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052340&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332056 103949217 CHEMBL102110 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086094 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ncccn1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(13.35,-8.09,;12.95,-10.02,;13.24,-11.53,;11.76,-10.83,;10.09,-11.56,;9.88,-10.06,;11.48,-9.36,;11.48,-7.5,;12.04,-8.76,;14.5,-10.02,;15.27,-11.35,;16.81,-11.35,;17.58,-10.02,;16.81,-8.69,;15.27,-8.69,;19.15,-10.02,;19.92,-11.35,;21.47,-11.35,;22.24,-10.01,;21.46,-8.66,;19.92,-8.68,)| 50052341 3-(4-Pyrimidin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL99839 Squalene synthase Rattus norvegicus 30 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052341 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052341&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19425759 103949218 CHEMBL99839 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086095 C(Cc1ccc(cc1)-c1ccccc1)C1CN2CCC1CC2 |TLB:0:14:20.21:18.17,(13.67,-10.95,;15.1,-11.51,;16.32,-10.57,;16.07,-9.06,;17.28,-8.09,;18.72,-8.65,;18.93,-10.18,;17.74,-11.15,;19.93,-7.7,;19.68,-6.18,;20.88,-5.23,;22.31,-5.78,;22.55,-7.32,;21.33,-8.27,;12.48,-11.91,;12.76,-13.42,;11.29,-12.73,;11.57,-10.67,;11.01,-9.42,;11.01,-11.26,;9.42,-11.96,;9.63,-13.46,)| InChI=1S/C21H25N/c1-2-4-18(5-3-1)19-9-6-17(7-10-19)8-11-21-16-22-14-12-20(21)13-15-22/h1-7,9-10,20-21H,8,11-16H2 DZTCLALNSKOSGM-UHFFFAOYSA-N 50052342 3-(2-Biphenyl-4-yl-ethyl)-1-aza-bicyclo[2.2.2]octane::CHEMBL322868 Squalene synthase Rattus norvegicus 5 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052342 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052342&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077556 103949219 CHEMBL322868 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086096 OC1(CN2CCC1CC2)C#Cc1ccc(cc1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(8.8,-5.03,;8.54,-7.02,;8.83,-8.52,;7.36,-7.82,;5.68,-8.55,;5.47,-7.05,;7.08,-6.36,;7.08,-4.51,;7.64,-5.76,;10.08,-7.02,;10.91,-8.3,;11.75,-9.56,;13.23,-9.22,;14.27,-10.37,;13.78,-11.83,;12.28,-12.18,;11.24,-11.02,;14.83,-12.95,;16.33,-12.63,;17.37,-13.77,;16.92,-15.25,;15.39,-15.56,;14.38,-14.43,)| 50052343 3-Biphenyl-4-ylethynyl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL317462 Squalene synthase Rattus norvegicus 3 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052343 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052343&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077552 103949220 CHEMBL317462 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086097 OC1(CN2CCC1CC2)c1cccc(c1)-c1ccccc1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.8,-5.94,;12.68,-8.03,;12.94,-9.41,;11.58,-8.79,;11.84,-6.9,;11.33,-5.72,;11.33,-7.42,;9.86,-8.06,;10.05,-9.44,;14.22,-8.03,;14.98,-6.71,;16.5,-6.71,;17.29,-8.03,;16.52,-9.38,;14.98,-9.38,;17.29,-10.69,;18.81,-10.69,;19.58,-12.03,;18.81,-13.36,;17.27,-13.36,;16.5,-12.03,)| InChI=1S/C19H21NO/c21-19(14-20-11-9-17(19)10-12-20)18-8-4-7-16(13-18)15-5-2-1-3-6-15/h1-8,13,17,21H,9-12,14H2 BBRATLQYMGFDRS-UHFFFAOYSA-N 50052344 3-Biphenyl-3-yl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL327738 Squalene synthase Rattus norvegicus 60 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052344 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052344&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9925666 103949221 CHEMBL327738 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086098 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccncc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.2,-8.13,;12.89,-10.05,;13.18,-11.57,;11.71,-10.88,;11.98,-8.83,;11.43,-7.56,;11.43,-9.41,;9.84,-10.1,;10.05,-11.6,;14.43,-10.08,;15.2,-11.4,;16.73,-11.4,;17.5,-10.08,;16.73,-8.74,;15.2,-8.74,;19.06,-10.07,;19.82,-8.74,;21.36,-8.74,;22.13,-10.08,;21.37,-11.4,;19.83,-11.4,)| InChI=1S/C18H20N2O/c21-18(13-20-11-7-17(18)8-12-20)16-3-1-14(2-4-16)15-5-9-19-10-6-15/h1-6,9-10,17,21H,7-8,11-13H2 PLLNWUDDSQLENO-UHFFFAOYSA-N 50052345 3-(4-Pyridin-4-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100691 Squalene synthase Rattus norvegicus 161 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052345 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052345&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9860509 103949222 CHEMBL100691 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086099 OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:22.23:20.19,0:1:22.23:20.19,(12.09,-7.87,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.23,-12.58,;15.68,-10.84,;16.49,-12.13,;18.05,-12.06,;18.73,-10.66,;17.89,-9.37,;16.35,-9.47,;20.26,-10.58,;20.96,-9.19,;22.5,-9.09,;23.36,-10.38,;22.66,-11.78,;21.12,-11.87,;12.05,-11.15,;10.56,-10.47,;8.88,-11.18,;8.67,-9.68,;10.28,-8.99,;10.28,-7.13,;10.84,-8.41,)| 50052347 3-(Biphenyl-4-sulfinylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL101283 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052347 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052347&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077548 103949224 CHEMBL101283 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086100 O=S(=O)(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:3:4:8.7:10.11,(15.72,-13.38,;15.09,-11.5,;14.67,-9.03,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)| 50052348 Biphenyl-4-sulfonic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide::CHEMBL103895 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052348 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052348&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332025 103949225 CHEMBL103895 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086101 C1CN2CCC1C(C2)\C=C/c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(12.4,-6.87,;12.61,-8.37,;14.26,-7.64,;14.54,-5.59,;13.98,-4.33,;13.98,-6.18,;15.44,-6.84,;15.76,-8.34,;16.66,-5.86,;18.09,-6.44,;18.06,-7.98,;19.41,-8.69,;19.45,-10.22,;18.15,-11.04,;16.79,-10.29,;16.76,-8.76,;18.18,-12.59,;19.52,-13.31,;19.58,-14.84,;18.27,-15.65,;16.91,-14.92,;16.87,-13.38,)| 50052346 3-((Z)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]octane::CHEMBL318301 Squalene synthase Rattus norvegicus 580 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052346 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052346&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331972 103949223 CHEMBL318301 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086102 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(cc1)-c1ccccc1 |THB:0:1:7.8:5.4,9:1:7.8:5.4,(9.43,-7.58,;9.22,-9.41,;9.48,-10.79,;8.12,-10.15,;6.59,-10.82,;6.4,-9.44,;7.86,-8.8,;7.86,-7.1,;8.37,-8.26,;10.76,-9.41,;11.52,-8.06,;13.04,-8.06,;13.83,-9.41,;13.06,-10.75,;11.52,-10.75,;15.37,-9.41,;16.14,-10.73,;17.68,-10.73,;18.45,-9.4,;17.66,-8.06,;16.12,-8.06,;19.99,-9.4,;20.74,-8.06,;22.28,-8.06,;23.05,-9.4,;22.28,-10.73,;20.74,-10.73,)| 50052349 3-[1,1';4',1'']Terphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL329513 Squalene synthase Rattus norvegicus 370 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052349 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052349&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332022 103949226 CHEMBL329513 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086103 C1CN2CCC1C(C2)\C=C\c1ccc(cc1)-c1ccccc1 |THB:8:6:4.3:0.1,(9.53,-12.11,;9.74,-13.61,;11.4,-12.88,;11.68,-10.82,;11.12,-9.57,;11.12,-11.41,;12.6,-12.04,;12.88,-13.58,;13.78,-11.1,;15.21,-11.68,;16.43,-10.72,;16.11,-9.22,;17.24,-8.17,;18.7,-8.65,;19.05,-10.15,;17.9,-11.17,;19.85,-7.61,;19.53,-6.11,;20.65,-5.07,;22.14,-5.54,;22.47,-7.04,;21.32,-8.09,)| 50052350 3-((E)-2-Biphenyl-4-yl-vinyl)-1-aza-bicyclo[2.2.2]octane::CHEMBL327957 Squalene synthase Rattus norvegicus 4 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052350 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052350&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077549 103949227 CHEMBL327957 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086104 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(10.58,-8.89,;10.59,-10.42,;10.59,-11.97,;9.25,-12.74,;7.92,-11.97,;7.92,-10.42,;9.25,-9.65,;8.51,-11,;10,-11.41,;11.92,-9.66,;13.25,-10.43,;14.59,-9.66,;14.59,-8.12,;13.25,-7.35,;11.92,-8.12,;15.92,-7.35,;17.25,-8.12,;18.58,-7.36,;18.58,-5.81,;17.24,-5.04,;15.91,-5.82,)| InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2 WPCQYFUQHBLGAX-UHFFFAOYSA-N 50052351 3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol::3-biphenyl-4-yl-3-hydroxyquinuclidine::CHEMBL279261 Squalene synthase Rattus norvegicus 16.0 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052351 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052351&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9817140 103949228 CHEMBL279261 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086106 OC1(CN2CCC1CC2)c1ccc(cc1)-c1nc2ccccc2s1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(12.16,-7.72,;11.82,-9.91,;12.13,-11.4,;10.64,-10.73,;9,-11.44,;8.79,-9.95,;10.36,-9.25,;10.36,-7.42,;10.92,-8.69,;13.36,-9.94,;14.12,-8.6,;15.65,-8.6,;16.42,-9.94,;15.66,-11.25,;14.12,-11.25,;17.94,-9.91,;18.81,-8.49,;20.29,-9.14,;21.61,-8.35,;22.96,-9.12,;22.96,-10.67,;21.64,-11.44,;20.3,-10.67,;18.84,-11.18,)| 50052353 3-(4-Benzothiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100506 Squalene synthase Rattus norvegicus 6 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052353 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052353&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332042 103949230 CHEMBL100506 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086107 C1CN2CCC1C(=C2)c1ccc(cc1)-c1ccccc1 |c:7,THB:8:6:0.1:4.3,(8.69,-9.06,;8.89,-10.44,;10.41,-9.76,;10.66,-7.87,;10.23,-6.77,;10.15,-8.42,;11.52,-9.02,;11.79,-10.41,;13.06,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)| 50052352 3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]oct-2-ene::CHEMBL100392 Squalene synthase Rattus norvegicus 18 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052352 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052352&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 10706554 103949229 CHEMBL100392 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086108 C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;11.56,-10.67,;11,-9.41,;11,-11.26,;9.41,-11.96,;9.62,-13.45,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;19.68,-6.18,;20.87,-5.22,;22.3,-5.78,;22.54,-7.31,;21.32,-8.27,)| InChI=1S/C20H24N2/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-21-20-15-22-12-10-19(20)11-13-22/h1-9,19-21H,10-15H2 QDOXHTUVVNVSEI-UHFFFAOYSA-N 50052354 (1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-ylmethyl-amine::CHEMBL329516 Squalene synthase Rattus norvegicus 140 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052354 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052354&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9882536 103949231 CHEMBL329516 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086109 OC1(CCc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.01,-8.04,;11.74,-9.93,;13.28,-9.93,;14.12,-11.22,;15.68,-11.12,;16.49,-12.41,;18.05,-12.34,;18.73,-10.94,;17.89,-9.65,;16.35,-9.75,;20.26,-10.86,;21.13,-12.15,;22.66,-12.06,;23.36,-10.66,;22.5,-9.37,;20.96,-9.47,;12.05,-11.43,;10.56,-10.75,;8.88,-11.47,;8.67,-9.96,;10.28,-9.27,;10.28,-7.41,;10.84,-8.69,)| 50052355 3-(2-Biphenyl-4-yl-ethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL322662 Squalene synthase Rattus norvegicus 7 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052355 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052355&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077543 103949232 CHEMBL322662 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086110 C(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |(24.24,-17.57,;22.91,-18.33,;22.91,-19.88,;21.57,-20.65,;20.23,-19.88,;20.23,-18.33,;21.57,-17.56,;20.83,-18.92,;22.32,-19.32,;25.58,-18.34,;25.57,-19.88,;26.9,-20.64,;28.23,-19.88,;28.23,-18.33,;26.9,-17.57,;29.56,-20.64,;29.56,-22.19,;30.89,-22.96,;32.23,-22.19,;32.22,-20.64,;30.89,-19.88,)| InChI=1S/C20H23N/c1-2-4-17(5-3-1)18-8-6-16(7-9-18)14-20-15-21-12-10-19(20)11-13-21/h1-9,19-20H,10-15H2 QBLZXWRXSWVMCP-UHFFFAOYSA-N 50052357 3-Biphenyl-4-ylmethyl-1-aza-bicyclo[2.2.2]octane::3-[1'-(Biphenyl)-methyl]-quinuclidine::CHEMBL99679 Squalene synthase Rattus norvegicus 27 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052357 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052357&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19967090 103949234 CHEMBL99679 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086111 OC1(CN2CCC1CC2)c1ccc(cc1)C1CCCCC1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(11.75,-7.58,;11.5,-9.41,;11.79,-10.79,;10.41,-10.15,;8.89,-10.82,;8.69,-9.44,;10.15,-8.8,;10.15,-7.1,;10.66,-8.26,;13.04,-9.41,;13.81,-8.06,;15.35,-8.06,;16.12,-9.41,;15.35,-10.75,;13.81,-10.75,;17.66,-9.41,;18.43,-8.08,;19.97,-8.08,;20.74,-9.41,;19.97,-10.76,;18.43,-10.75,)| 50052356 3-(4-Cyclohexyl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL317316 Squalene synthase Rattus norvegicus 190 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052356 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052356&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332041 103949233 CHEMBL317316 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086112 Oc1ccc(cc1)-c1ccc(cc1)C1(O)CN2CCC1CC2 |THB:10:13:18.17:20.21,14:13:18.17:20.21,(22.61,-10.37,;21.05,-10.37,;20.28,-9.03,;18.74,-9.04,;17.97,-10.37,;18.74,-11.7,;20.28,-11.7,;16.43,-10.37,;15.66,-11.7,;14.11,-11.7,;13.35,-10.37,;14.11,-9.04,;15.65,-9.04,;11.8,-10.37,;12.3,-8.52,;12.09,-11.88,;10.58,-11.18,;8.93,-11.91,;8.72,-10.41,;10.3,-9.71,;10.3,-7.85,;10.86,-9.11,)| 50052359 3-(4'-Hydroxy-biphenyl-4-yl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100913 Squalene synthase Rattus norvegicus 132 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052359 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052359&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19065046 103949236 CHEMBL100913 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086113 OC1(COc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-9.89,;13.28,-9.89,;14.12,-11.17,;15.68,-11.08,;16.49,-12.37,;18.05,-12.29,;18.73,-10.91,;17.89,-9.61,;16.35,-9.71,;20.26,-10.8,;21.13,-12.09,;22.66,-12.01,;23.36,-10.63,;22.5,-9.34,;20.96,-9.44,;12.05,-11.4,;10.56,-10.7,;8.88,-11.43,;8.67,-9.93,;10.28,-9.23,;10.28,-7.38,;10.84,-8.64,)| 50052358 3-(Biphenyl-4-yloxymethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL101492 Squalene synthase Rattus norvegicus 13 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052358 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052358&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331917 103949235 CHEMBL101492 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086114 OC1(CN2CCC1CC2)c1ccc(cc1)-c1cnc2ccccc2c1 |TLB:0:1:5.4:7.8,9:1:5.4:7.8,(12.12,-8.13,;11.81,-10.06,;12.11,-11.56,;10.62,-10.86,;10.9,-8.8,;10.34,-7.54,;10.34,-9.39,;8.73,-10.09,;8.94,-11.6,;13.37,-10.06,;14.12,-8.73,;15.66,-8.73,;16.45,-10.06,;15.68,-11.39,;14.12,-11.39,;18,-10.06,;18.77,-11.39,;20.31,-11.39,;21.08,-10.05,;22.62,-10.05,;23.38,-8.72,;22.59,-7.39,;21.07,-7.4,;20.31,-8.73,;18.77,-8.73,)| InChI=1S/C22H22N2O/c25-22(15-24-11-9-20(22)10-12-24)19-7-5-16(6-8-19)18-13-17-3-1-2-4-21(17)23-14-18/h1-8,13-14,20,25H,9-12,15H2 VQXSFCKXYIQZNX-UHFFFAOYSA-N 50052360 3-(4-Quinolin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100180 Squalene synthase Rattus norvegicus 200 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052360 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052360&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331937 103949237 CHEMBL100180 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086115 CC(C)=CCC\C(C)=C\CC\C(C)=C\COC1CN2CCC1CC2 |THB:15:16:22.23:20.19,(23.82,-13.7,;22.28,-13.7,;21.51,-15.03,;21.51,-12.36,;19.97,-12.36,;19.2,-11.02,;17.66,-11.02,;16.89,-12.36,;16.89,-9.7,;15.35,-9.7,;14.58,-8.35,;13.04,-8.35,;12.27,-9.7,;12.27,-7.03,;10.73,-7.03,;9.96,-5.69,;8.42,-5.69,;8.71,-7.07,;7.33,-6.45,;5.79,-7.1,;5.61,-5.72,;7.07,-5.08,;7.07,-3.38,;7.58,-4.56,)| 50052361 3-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyloxy)-1-aza-bicyclo[2.2.2]octane::CHEMBL100912 Squalene synthase Rattus norvegicus 70 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052361 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052361&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331821 103949238 CHEMBL100912 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086116 OC1(CN2CCC1CC2)c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(14,-7.48,;13.81,-9.44,;14.1,-10.82,;12.72,-10.2,;11.2,-10.86,;11,-9.48,;12.46,-8.83,;12.46,-7.13,;12.97,-8.31,;15.35,-9.44,;16.12,-8.12,;17.66,-8.12,;18.43,-9.44,;17.66,-10.79,;16.12,-10.79,)| 50052363 3-Phenyl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL102958 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052363 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052363&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 2894014 103949240 CHEMBL102958 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086117 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccc(F)cc1 |THB:9:1:5.4:7.8,0:1:5.4:7.8,(12.37,-8.38,;12.18,-10.06,;12.47,-11.56,;10.99,-10.89,;9.32,-11.6,;9.11,-10.09,;10.71,-9.39,;10.71,-7.54,;11.27,-8.82,;13.73,-10.08,;14.5,-11.39,;16.04,-11.39,;16.81,-10.08,;16.04,-8.73,;14.5,-8.73,;18.38,-10.06,;19.12,-8.73,;20.66,-8.73,;21.46,-10.06,;23.01,-10.06,;20.69,-11.39,;19.12,-11.39,)| 50052366 3-(4'-Fluoro-biphenyl-4-yl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100727 Squalene synthase Rattus norvegicus 18 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052366 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052366&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 10357278 103949243 CHEMBL100727 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086118 OC1(CN2CCC1CC2)c1cnc(s1)-c1ccccc1 |THB:9:1:7.8:5.4,0:1:7.8:5.4,(13.95,-7.3,;13.57,-9.29,;13.88,-10.79,;12.38,-10.11,;10.74,-10.82,;10.53,-9.33,;12.11,-8.63,;12.11,-6.79,;12.66,-8.06,;15.12,-9.31,;16.03,-8.06,;17.48,-8.53,;17.48,-10.09,;16.02,-10.57,;18.71,-10.99,;20.12,-10.37,;21.35,-11.27,;21.2,-12.8,;19.79,-13.43,;18.56,-12.52,)| 50052362 3-(2-Phenyl-thiazol-5-yl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL319389 Squalene synthase Rattus norvegicus 60 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052362 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052362&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331863 103949239 CHEMBL319389 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086119 C1CN2CCC1C(C2)Sc1ccc(cc1)-c1ccccc1 |TLB:8:6:0.1:4.3,(11.19,-7.07,;11.75,-8.32,;11.47,-10.38,;9.79,-11.12,;9.58,-9.62,;11.19,-8.92,;12.65,-9.58,;12.96,-11.08,;13.86,-8.6,;15.3,-9.18,;16.5,-8.22,;17.93,-8.78,;18.17,-10.31,;16.95,-11.26,;15.52,-10.7,;19.6,-10.87,;20.79,-9.9,;22.22,-10.45,;22.47,-11.99,;21.25,-12.97,;19.81,-12.4,)| InChI=1S/C19H21NS/c1-2-4-15(5-3-1)16-6-8-18(9-7-16)21-19-14-20-12-10-17(19)11-13-20/h1-9,17,19H,10-14H2 QOERRAODVJQNGQ-UHFFFAOYSA-N 50052367 3-(Biphenyl-4-ylsulfanyl)-1-aza-bicyclo[2.2.2]octane::CHEMBL99626 Squalene synthase Rattus norvegicus 21 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052367 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052367&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 21862337 103949244 CHEMBL99626 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086120 OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.57,-8.02,;13.24,-10.07,;13.54,-11.57,;12.05,-10.89,;10.38,-11.6,;10.17,-10.1,;11.77,-9.41,;11.77,-7.56,;12.33,-8.84,;14.79,-10.09,;15.53,-11.42,;17.09,-11.42,;17.85,-10.09,;17.06,-8.75,;15.53,-8.75,;19.4,-10.07,;20.29,-8.84,;21.73,-9.29,;21.75,-10.86,;20.3,-11.32,)| 50052364 3-(4-Thiophen-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL329766 Squalene synthase Rattus norvegicus 40 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052364 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052364&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331881 103949241 CHEMBL329766 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086121 COC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:10:2:6.5:8.9,1:2:6.5:8.9,(12.8,-6.52,;11.68,-7.17,;11.5,-9.25,;11.79,-10.63,;10.41,-10.01,;8.89,-10.66,;8.69,-9.28,;10.15,-8.64,;10.15,-6.94,;10.66,-8.12,;13.04,-9.25,;13.81,-7.92,;15.35,-7.92,;16.12,-9.25,;15.35,-10.6,;13.81,-10.6,;17.66,-9.25,;18.43,-10.59,;19.97,-10.59,;20.74,-9.25,;19.97,-7.9,;18.43,-7.92,)| 50052365 3-Biphenyl-4-yl-3-methoxy-1-aza-bicyclo[2.2.2]octane::CHEMBL102188 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052365 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052365&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 21862307 103949242 CHEMBL102188 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086123 O=C(NC1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |THB:2:3:9.10:7.6,(15.33,-13.04,;15.09,-11.5,;13.66,-10.95,;12.48,-11.91,;12.76,-13.42,;11.28,-12.72,;9.62,-13.45,;9.41,-11.96,;11,-11.26,;11,-9.41,;11.56,-10.67,;16.31,-10.56,;16.07,-9.05,;17.27,-8.09,;18.71,-8.65,;18.92,-10.18,;17.74,-11.14,;19.92,-7.7,;21.32,-8.27,;22.54,-7.31,;22.3,-5.78,;20.87,-5.22,;19.68,-6.18,)| 50052371 Biphenyl-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide::CHEMBL319594 Squalene synthase Rattus norvegicus 1200 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052371 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052371&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 4655407 103949248 CHEMBL319594 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086124 OC1(CN2CCC1CC2)c1ccc(s1)-c1cccs1 |TLB:9:1:7.8:5.4,0:1:7.8:5.4,(12.56,-7.1,;12.36,-8.82,;12.65,-10.21,;11.27,-9.57,;11.53,-7.68,;11.02,-6.52,;11.02,-8.22,;9.56,-8.87,;9.75,-10.25,;13.9,-8.82,;14.82,-7.58,;16.27,-8.03,;16.28,-9.6,;14.82,-10.09,;17.53,-10.5,;17.53,-12.06,;18.99,-12.51,;19.89,-11.27,;18.99,-10.02,)| InChI=1S/C15H17NOS2/c17-15(10-16-7-5-11(15)6-8-16)14-4-3-13(19-14)12-2-1-9-18-12/h1-4,9,11,17H,5-8,10H2 FPGHAZYRZGGSPR-UHFFFAOYSA-N 50052368 3-[2,2']Bithiophenyl-5-yl-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL100396 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052368 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052368&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331822 103949245 CHEMBL100396 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086125 O=S(=O)(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:3:9.10:7.6,(13.29,-7.36,;13.52,-8.9,;14.08,-10.6,;12.31,-9.84,;12.61,-11.34,;11.13,-10.67,;11.4,-8.62,;10.85,-7.35,;10.85,-9.2,;9.24,-9.9,;9.45,-11.39,;15.03,-8.88,;15.79,-10.22,;17.35,-10.22,;18.12,-8.9,;17.33,-7.56,;15.79,-7.56,;19.66,-8.88,;20.42,-10.22,;21.96,-10.22,;22.73,-8.88,;21.95,-7.54,;20.42,-7.56,)| InChI=1S/C19H21NO2S/c21-23(22,19-14-20-12-10-17(19)11-13-20)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19H,10-14H2 PFTMEIBREIKVSL-UHFFFAOYSA-N 50052370 3-(Biphenyl-4-sulfonyl)-1-aza-bicyclo[2.2.2]octane::CHEMBL97873 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052370 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052370&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331882 103949247 CHEMBL97873 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086126 CC(C)=CCC\C(C)=C\CC\C(C)=C\COCC1(O)CN2CCC1CC2 |THB:18:17:24.25:22.21,(27.52,-9.82,;26.19,-10.6,;26.22,-12.14,;24.86,-9.86,;23.52,-10.63,;22.18,-9.88,;20.86,-10.66,;20.89,-12.22,;19.51,-9.92,;18.2,-10.72,;16.85,-9.95,;15.52,-10.76,;15.56,-12.3,;14.19,-10.01,;12.86,-10.79,;11.53,-10.05,;10.18,-10.4,;8.96,-9.72,;8.95,-8.31,;9.25,-11.08,;7.87,-10.47,;6.33,-11.13,;6.16,-9.75,;7.61,-9.11,;7.61,-7.41,;8.13,-8.58,)| 50052373 3-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienyloxymethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL419899 Squalene synthase Rattus norvegicus 60 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052373 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052373&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44331818 103949250 CHEMBL419899 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086127 OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccn1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(13.07,-8.2,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-8.7,;16.68,-8.7,;17.45,-10.04,;16.68,-11.36,;15.16,-11.36,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.04,;21.3,-11.36,;19.76,-11.36,)| InChI=1S/C18H20N2O/c21-18(13-20-11-8-16(18)9-12-20)15-6-4-14(5-7-15)17-3-1-2-10-19-17/h1-7,10,16,21H,8-9,11-13H2 WFMGMCPXAIFZLZ-UHFFFAOYSA-N 50052378 3-(4-Pyridin-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL316840 Squalene synthase Rattus norvegicus 240 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052378 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052378&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9838609 103949255 CHEMBL316840 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086128 OC1(CSc2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:21.22:19.18,0:1:21.22:19.18,(12.09,-8,;11.74,-10.14,;13.28,-10.14,;14.12,-11.43,;15.68,-11.32,;16.49,-12.62,;18.05,-12.55,;18.73,-11.15,;17.89,-9.86,;16.35,-9.96,;20.26,-11.07,;21.12,-12.36,;22.66,-12.27,;23.36,-10.87,;22.5,-9.58,;20.96,-9.68,;12.05,-11.64,;10.56,-10.96,;8.88,-11.67,;8.67,-10.17,;10.28,-9.47,;10.28,-7.62,;10.84,-8.9,)| 50052377 3-(Biphenyl-4-ylsulfanylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL319172 Squalene synthase Rattus norvegicus 8 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052377 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052377&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077540 103949254 CHEMBL319172 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086129 OC1(CN2CCC1CC2)c1ccc(cc1)-c1cccnc1 |TLB:9:1:5.4:7.8,0:1:5.4:7.8,(12.97,-8.1,;12.85,-10.02,;13.14,-11.51,;11.67,-10.84,;11.95,-8.79,;11.39,-7.51,;11.39,-9.36,;9.81,-10.05,;10.02,-11.54,;14.39,-10.04,;15.16,-11.36,;16.68,-11.36,;17.45,-10.04,;16.68,-8.7,;15.16,-8.7,;19,-10.02,;19.76,-8.7,;21.3,-8.7,;22.07,-10.02,;21.3,-11.36,;19.76,-11.37,)| InChI=1S/C18H20N2O/c21-18(13-20-10-7-17(18)8-11-20)16-5-3-14(4-6-16)15-2-1-9-19-12-15/h1-6,9,12,17,21H,7-8,10-11,13H2 ZGMLHWFYPPOXHM-UHFFFAOYSA-N 50052374 3-(4-Pyridin-3-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL322664 Squalene synthase Rattus norvegicus 270 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052374 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052374&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19425757 103949251 CHEMBL322664 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086130 OC1(CS(=O)(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |TLB:2:1:23.24:21.20,0:1:23.24:21.20,(12.01,-7.79,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.31,-12.58,;14.63,-9.18,;15.68,-10.84,;16.35,-9.47,;17.89,-9.37,;18.73,-10.66,;18.05,-12.06,;16.49,-12.13,;20.26,-10.58,;21.12,-11.87,;22.66,-11.78,;23.36,-10.38,;22.5,-9.09,;20.96,-9.19,;12.05,-11.15,;10.56,-10.47,;10.84,-8.41,;10.28,-7.13,;10.28,-8.99,;8.67,-9.68,;8.88,-11.18,)| InChI=1S/C20H23NO3S/c22-20(14-21-12-10-18(20)11-13-21)15-25(23,24)19-8-6-17(7-9-19)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2 YCVUUBXTXSXKRZ-UHFFFAOYSA-N 50052375 3-(Biphenyl-4-sulfonylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL98414 Squalene synthase Rattus norvegicus >2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052375 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052375&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19077554 103949252 CHEMBL98414 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086131 OC1(CN2CCC1CC2)c1ccc(cc1)-c1nccs1 |THB:0:1:5.4:7.8,9:1:5.4:7.8,(13.63,-8.12,;13.18,-9.98,;13.48,-11.45,;12,-10.79,;10.34,-11.51,;10.13,-10.02,;11.72,-9.32,;11.72,-7.49,;12.28,-8.74,;14.73,-9.99,;15.47,-11.31,;17.02,-11.31,;17.78,-9.99,;16.99,-8.66,;15.47,-8.66,;19.31,-9.98,;20.22,-8.64,;21.64,-9.2,;21.66,-10.75,;20.22,-11.24,)| 50052372 3-(4-Thiazol-2-yl-phenyl)-1-aza-bicyclo[2.2.2]octan-3-ol::CHEMBL316713 Squalene synthase Rattus norvegicus 30 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052372 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052372&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44332043 103949249 CHEMBL316713 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086132 [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#8]P([#8-])(=O)[#6](-[#8-])=O InChI=1S/C17H2O5P/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-22-23(20,21)17(18)19/h(H,18,19)(H,20,21)/p-2 XBBGXIADEVXQBE-UHFFFAOYSA-L 50029160 Disodium salt of 13-[-2,6,10-trimethyl-(6E,10E)-2,6,10-tridecatriene]phosphono formate::Squibb 32377::Sodium salt of 4,8,12-trimethyl-(3E,7E)-3,7,11-tridecatriene-phosphoric acid::CHEMBL55300 Squalene synthase Rattus norvegicus 30000 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50029160 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50029160&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 44319693 103938238 CHEMBL55300 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086133 OC(C1CN2CCC1CC2)c1ccc(cc1)-c1ccccc1 |TLB:1:2:8.9:6.5,(13.02,-8,;13.53,-9.45,;12.32,-10.4,;12.62,-11.9,;11.14,-11.23,;11.42,-9.17,;10.86,-7.89,;10.86,-9.74,;9.25,-10.44,;9.46,-11.94,;15.04,-9.45,;15.81,-8.1,;17.34,-8.1,;18.14,-9.45,;17.37,-10.78,;15.81,-10.78,;19.68,-9.43,;20.44,-8.1,;21.97,-8.1,;22.75,-9.43,;21.98,-10.78,;20.44,-10.78,)| InChI=1S/C20H23NO/c22-20(19-14-21-12-10-17(19)11-13-21)18-8-6-16(7-9-18)15-4-2-1-3-5-15/h1-9,17,19-20,22H,10-14H2 UOKQVHGNNBRNDM-UHFFFAOYSA-N 50052369 (1-Aza-bicyclo[2.2.2]oct-3-yl)-biphenyl-4-yl-methanol::CHEMBL101863 Squalene synthase Rattus norvegicus 2500 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052369 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052369&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 19967098 103949246 CHEMBL101863 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769 50086135 C1CN2CCC1C(C2)c1ccc(cc1)-c1ccccc1 |TLB:8:6:4.3:0.1,(10.23,-6.77,;10.66,-7.87,;10.41,-9.76,;8.89,-10.44,;8.69,-9.06,;10.15,-8.42,;11.5,-9.02,;11.79,-10.41,;13.04,-9.02,;13.81,-10.36,;15.35,-10.36,;16.12,-9.03,;15.35,-7.68,;13.81,-7.68,;17.66,-9.03,;18.43,-7.68,;19.97,-7.68,;20.74,-9.02,;19.97,-10.34,;18.43,-10.34,)| InChI=1S/C19H21N/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)19-14-20-12-10-18(19)11-13-20/h1-9,18-19H,10-14H2 ONKAPNPOBBUQAF-UHFFFAOYSA-N 50052376 3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octane::CHEMBL319077 Squalene synthase Rattus norvegicus 11 ChEMBL 10.1021/jm950907l 10.7270/Q24J0D7G 8709131 Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ 9/6/1996 11/10/2009 Zeneca Pharmaceuticals http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50052376 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001393&target=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50052376&enzyme=Squalene+synthase&column=ki&startPg=0&Increment=50&submit=Search 9795241 103949253 CHEMBL319077 1 MEFVKCLGHPEEFYNLLRFRMGGRRNFIPKMDRNSLSNSLKTCYKYLDQTSRSFAAVIQALDGDIRHAVCVFYLILRAMDTVEDDMAISVEKKIPLLRNFHTFLYEPEWRFTESKEKHRVVLEDFPTISLEFRNLAEKYQTVIADICHRMGCGMAEFLNKDVTSKQDWDKYCHYVAGLVGIGLSRLFSASEFEDPIVGEDTECANSMGLFLQKTNIIRDYLEDQQEGRQFWPQEVWGKYVKKLEDFVKPENVDVAVKCLNELITNALQHIPDVITYLSRLRNQSVFNFCAIPQVMAIATLAACYNNHQVFKGVVKIRKGQAVTLMMDATNMPAVKAIIYQYIEEIYHRVPNSDPSASKAKQLISNIRTQSLPNCQLISRSHYSPIYLSFIMLLAALSWQYLSTLSQVTEDYVQREH Squalene synthase FDFT_RAT Q02769