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 50045517 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Cytochrome P450 11B2, mitochondrial Homo sapiens 43000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50045518 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 74000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50045519 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Aromatase Homo sapiens 260 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080951 OC(C1CCc2ccccc2C1=O)c1cnccn1 InChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-9-16-7-8-17-13/h1-4,7-9,12,15,19H,5-6H2 JESMDNSOILZYSB-UHFFFAOYSA-N 50049761 2-(Hydroxy-pyrazin-2-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one::CHEMBL169449 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049761 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049761&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10753431 103980070 CHEMBL169449 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080953 C1Cc2ccccc2C2C1C2c1ccn[nH]1 InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-8-15-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16) FIORVGNTSODCHF-UHFFFAOYSA-N 50049762 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-pyrazole::CHEMBL353068 Cytochrome P450 11B2, mitochondrial Homo sapiens 19000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049762 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049762&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10727176 103980071 CHEMBL353068 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080956 O=C1\C(CCc2ccccc12)=C\c1cccnn1 InChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2 QPJAJZLWZJXVSQ-UHFFFAOYSA-N 50049764 2-[1-Pyridazin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL166709 Cytochrome P450 11B2, mitochondrial Homo sapiens 21000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049764 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049764&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10776192 103980073 CHEMBL166709 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080957 O=C1\C(CCc2ccccc12)=C\c1cccnc1 InChI=1S/C16H13NO/c18-16-14(10-12-4-3-9-17-11-12)8-7-13-5-1-2-6-15(13)16/h1-6,9-11H,7-8H2 FQGOMCZTOHRVAC-UHFFFAOYSA-N 50049765 2-[1-Pyridin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL168636 Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 48000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049765 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049765&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 1550302 103980074 CHEMBL168636 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50080959 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 31000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50080960 C1Cc2ccccc2C2C1C2c1ccccc1 InChI=1S/C17H16/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17(15)16/h1-9,15-17H,10-11H2 NPAIOWALHYRYQL-UHFFFAOYSA-N 50049766 1-Phenyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene::CHEMBL168700 Cytochrome P450 11B2, mitochondrial Homo sapiens 14000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049766 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049766&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 44381001 103980075 CHEMBL168700 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080963 O=C1\C(CCc2ccccc12)=C\c1ccsc1 InChI=1S/C15H12OS/c16-15-13(9-11-7-8-17-10-11)6-5-12-3-1-2-4-14(12)15/h1-4,7-10H,5-6H2 JCQSAWCIZPUUBS-UHFFFAOYSA-N 50049767 2-[1-Thiophen-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL166974 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049767 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049767&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 7515053 103980076 CHEMBL166974 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080964 O=C1\C(CCc2ccccc12)=C\c1cnccn1 InChI=1S/C15H12N2O/c18-15-12(9-13-10-16-7-8-17-13)6-5-11-3-1-2-4-14(11)15/h1-4,7-10H,5-6H2 IOSPZARVJVZJGA-UHFFFAOYSA-N 50049768 2-[1-Pyrazin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL413344 Aromatase Homo sapiens 38000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049768 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049768&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10489983 103980077 CHEMBL413344 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080966 O=C1\C(CCc2ccccc12)=C\c1cccnn1 InChI=1S/C15H12N2O/c18-15-12(10-13-5-3-9-16-17-13)8-7-11-4-1-2-6-14(11)15/h1-6,9-10H,7-8H2 QPJAJZLWZJXVSQ-UHFFFAOYSA-N 50049764 2-[1-Pyridazin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL166709 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049764 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049764&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10776192 103980073 CHEMBL166709 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080967 O=C1\C(CCc2ccccc12)=C\c1ccnnc1 InChI=1S/C15H12N2O/c18-15-13(9-11-7-8-16-17-10-11)6-5-12-3-1-2-4-14(12)15/h1-4,7-10H,5-6H2 LZNWFUMFLATCSO-UHFFFAOYSA-N 50049769 2-[1-Pyridazin-4-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL424556 Aromatase Homo sapiens 103000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049769 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049769&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10752290 103980078 CHEMBL424556 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080968 C1Cc2ccccc2C2C1C2c1ccccn1 InChI=1S/C16H15N/c1-2-6-12-11(5-1)8-9-13-15(12)16(13)14-7-3-4-10-17-14/h1-7,10,13,15-16H,8-9H2 JHBQXWSFWPQARO-UHFFFAOYSA-N 50049771 2-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL166789 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049771 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049771&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10656613 103980080 CHEMBL166789 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080969 O=C1\C(CCc2ccccc12)=C\c1ccccn1 InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2 ZXFHIHFMBOWHPB-UHFFFAOYSA-N 50049770 cid_26160::CHEMBL424203::2-[1-Pyridin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049770 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049770&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 5702960 103980079 CHEMBL424203 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080970 O=C1\C(CCc2ccccc12)=C\c1cnccn1 InChI=1S/C15H12N2O/c18-15-12(9-13-10-16-7-8-17-13)6-5-11-3-1-2-4-14(11)15/h1-4,7-10H,5-6H2 IOSPZARVJVZJGA-UHFFFAOYSA-N 50049768 2-[1-Pyrazin-2-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL413344 Cytochrome P450 11B2, mitochondrial Homo sapiens 10000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049768 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049768&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10489983 103980077 CHEMBL413344 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080971 C1Cc2ccccc2C2C1C2c1ccn[nH]1 InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-8-15-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16) FIORVGNTSODCHF-UHFFFAOYSA-N 50049762 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-pyrazole::CHEMBL353068 Aromatase Homo sapiens 51000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049762 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049762&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10727176 103980071 CHEMBL353068 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080972 O=C1\C(CCc2ccccc12)=C\c1ccncc1 InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2 BMJBYWJCQGXHFI-UHFFFAOYSA-N 50009605 CHEMBL90585::2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one::2-Pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one::2-[1-Pyridin-4-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Cytochrome P450 11B2, mitochondrial Homo sapiens 12000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009605 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009605&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 5702471 103922594 CHEMBL90585 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080973 C1Cc2ccccc2C2C1C2c1ccsc1 InChI=1S/C15H14S/c1-2-4-12-10(3-1)5-6-13-14(15(12)13)11-7-8-16-9-11/h1-4,7-9,13-15H,5-6H2 LFQRCKYTAFAFTL-UHFFFAOYSA-N 50049772 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-thiophene::CHEMBL433728 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049772 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049772&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10585362 103980081 CHEMBL433728 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080974 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Cytochrome P450 11B2, mitochondrial Homo sapiens 73000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080975 C1Cc2ccccc2C2C1C2c1cnc[nH]1 InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16) JRSOAPYTPOYVTE-UHFFFAOYSA-N 50049774 5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole::CHEMBL352645 Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 90000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049774 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049774&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10036028 103980083 CHEMBL352645 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50080978 C1Cc2ccccc2C2C1C2c1cccnc1 InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2 QRKOWDMRFAGLGC-UHFFFAOYSA-N 50049776 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL440930 Cytochrome P450 11B2, mitochondrial Homo sapiens 24000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049776 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049776&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10398594 103980085 CHEMBL440930 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080979 OC(C1CCc2ccccc2C1=O)c1ccncn1 InChI=1S/C15H14N2O2/c18-14-11-4-2-1-3-10(11)5-6-12(14)15(19)13-7-8-16-9-17-13/h1-4,7-9,12,15,19H,5-6H2 QSUQBHJIRSEQES-UHFFFAOYSA-N 50049775 2-(Hydroxy-pyrimidin-4-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one::CHEMBL168444 Aromatase Homo sapiens 27000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049775 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049775&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10729612 103980084 CHEMBL168444 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080980 O=C1\C(CCc2ccccc12)=C\c1cncs1 InChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2 SKXWCPVLXHAWNA-UHFFFAOYSA-N 50049777 2-[1-Thiazol-5-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL169086 Aromatase Homo sapiens 1100 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049777 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049777&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10800145 103980086 CHEMBL169086 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080981 O=C1\C(CCc2ccccc12)=C\c1cccnc1 InChI=1S/C16H13NO/c18-16-14(10-12-4-3-9-17-11-12)8-7-13-5-1-2-6-15(13)16/h1-6,9-11H,7-8H2 FQGOMCZTOHRVAC-UHFFFAOYSA-N 50049765 2-[1-Pyridin-3-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL168636 Aromatase Homo sapiens 9200.0 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049765 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049765&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 1550302 103980074 CHEMBL168636 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080983 C1Cc2ccccc2C2C1C2c1cnc[nH]1 InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16) JRSOAPYTPOYVTE-UHFFFAOYSA-N 50049774 5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole::CHEMBL352645 Cytochrome P450 11B2, mitochondrial Homo sapiens 90000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049774 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049774&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10036028 103980083 CHEMBL352645 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080986 C1Cc2ccccc2C2C1C2c1ccccc1 InChI=1S/C17H16/c1-2-7-13(8-3-1)16-15-11-10-12-6-4-5-9-14(12)17(15)16/h1-9,15-17H,10-11H2 NPAIOWALHYRYQL-UHFFFAOYSA-N 50049766 1-Phenyl-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene::CHEMBL168700 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049766 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049766&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 44381001 103980075 CHEMBL168700 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080987 O=C1\C(CCc2ccccc12)=C\c1ccncc1 InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2 BMJBYWJCQGXHFI-UHFFFAOYSA-N 50009605 CHEMBL90585::2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one::2-Pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one::2-[1-Pyridin-4-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Aromatase Homo sapiens 4600 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009605 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009605&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 5702471 103922594 CHEMBL90585 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080988 C1Cc2ccccc2C2C1C2c1ccncc1 InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2 KNIGVLQBCXKAGG-UHFFFAOYSA-N 50035209 4-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL304903 Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 36000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035209&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10331100 103943256 CHEMBL304903 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50080989 O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(9-12-7-8-15-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) VYLLEPDOPRKCHB-UHFFFAOYSA-N 50049778 2-[1-(2H-Pyrazol-3-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL415753 Cytochrome P450 11B2, mitochondrial Homo sapiens 20000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049778 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049778&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10513321 103980087 CHEMBL415753 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50080996 C1Cc2ccccc2C2C1C2c1cccnc1 InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2 QRKOWDMRFAGLGC-UHFFFAOYSA-N 50049776 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL440930 Aromatase Homo sapiens 13000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049776 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049776&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10398594 103980085 CHEMBL440930 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50080998 O=C1C(CCc2ccccc12)=Cc1ccn[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(9-12-7-8-15-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) VYLLEPDOPRKCHB-UHFFFAOYSA-N 50049778 2-[1-(2H-Pyrazol-3-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL415753 Aromatase Homo sapiens 18000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049778 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049778&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10513321 103980087 CHEMBL415753 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081001 C1Cc2ccccc2C2C1C2c1cnc[nH]1 InChI=1S/C14H14N2/c1-2-4-10-9(3-1)5-6-11-13(10)14(11)12-7-15-8-16-12/h1-4,7-8,11,13-14H,5-6H2,(H,15,16) JRSOAPYTPOYVTE-UHFFFAOYSA-N 50049774 5-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-1H-imidazole::CHEMBL352645 Aromatase Homo sapiens 600 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049774 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049774&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10036028 103980083 CHEMBL352645 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081003 C1Cc2ccccc2C2C1C2c1ccncc1 InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2 KNIGVLQBCXKAGG-UHFFFAOYSA-N 50035209 4-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL304903 Aromatase Homo sapiens 370 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035209&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10331100 103943256 CHEMBL304903 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081007 O=C1\C(CCc2ccccc12)=C\c1ccccc1 InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,12H,10-11H2 JNRAEZULKWNOQO-UHFFFAOYSA-N 50049779 2-[1-Phenyl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL28689 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049779 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049779&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 5376779 103980088 CHEMBL28689 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081010 O=C1\C(CCc2ccccc12)=C\c1cncs1 InChI=1S/C14H11NOS/c16-14-11(7-12-8-15-9-17-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2 SKXWCPVLXHAWNA-UHFFFAOYSA-N 50049777 2-[1-Thiazol-5-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL169086 Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 21000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049777 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049777&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10800145 103980086 CHEMBL169086 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50081011 OC(C1CCc2ccccc2C1=O)c1cccnn1 InChI=1S/C15H14N2O2/c18-14-11-5-2-1-4-10(11)7-8-12(14)15(19)13-6-3-9-16-17-13/h1-6,9,12,15,19H,7-8H2 ROULODVOSXNBOK-UHFFFAOYSA-N 50049780 2-(Hydroxy-pyridazin-3-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one::CHEMBL169664 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049780 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049780&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10610950 103980089 CHEMBL169664 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081012 OC(C1CCc2ccccc2C1=O)c1ccnnc1 InChI=1S/C15H14N2O2/c18-14(11-7-8-16-17-9-11)13-6-5-10-3-1-2-4-12(10)15(13)19/h1-4,7-9,13-14,18H,5-6H2 HEXXQXPBBNSYQW-UHFFFAOYSA-N 50049781 2-(Hydroxy-pyridazin-4-yl-methyl)-3,4-dihydro-2H-naphthalen-1-one::CHEMBL168762 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049781 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049781&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10729611 103980090 CHEMBL168762 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081013 Nc1ncc(\C=C2/CCc3ccccc3C2=O)s1 InChI=1S/C14H12N2OS/c15-14-16-8-11(18-14)7-10-6-5-9-3-1-2-4-12(9)13(10)17/h1-4,7-8H,5-6H2,(H2,15,16) ZFYFUMAODCHFDN-UHFFFAOYSA-N 50049782 2-[1-(2-Amino-thiazol-5-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one::CHEMBL355681 Aromatase Homo sapiens >250000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049782 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049782&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10587179 103980091 CHEMBL355681 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7 50081015 C1Cc2ccccc2C2C1C2c1ccncc1 InChI=1S/C16H15N/c1-2-4-13-11(3-1)5-6-14-15(16(13)14)12-7-9-17-10-8-12/h1-4,7-10,14-16H,5-6H2 KNIGVLQBCXKAGG-UHFFFAOYSA-N 50035209 4-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL304903 Cytochrome P450 11B2, mitochondrial Homo sapiens 55000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50035209 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=555&target=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50035209&enzyme=Cytochrome+P450+11B2%2C+mitochondrial&column=ki&startPg=0&Increment=50&submit=Search 10331100 103943256 CHEMBL304903 1 MALRAKAEVCVAAPWLSLQRARALGTRAARAPRTVLPFEAMPQHPGNRWLRLLQIWREQGYEHLHLEMHQTFQELGPIFRYNLGGPRMVCVMLPEDVEKLQQVDSLHPCRMILEPWVAYRQHRGHKCGVFLLNGPEWRFNRLRLNPDVLSPKAVQRFLPMVDAVARDFSQALKKKVLQNARGSLTLDVQPSIFHYTIEASNLALFGERLGLVGHSPSSASLNFLHALEVMFKSTVQLMFMPRSLSRWISPKVWKEHFEAWDCIFQYGDNCIQKIYQELAFNRPQHYTGIVAELLLKAELSLEAIKANSMELTAGSVDTTAFPLLMTLFELARNPDVQQILRQESLAAAASISEHPQKATTELPLLRAALKETLRLYPVGLFLERVVSSDLVLQNYHIPAGTLVQVFLYSLGRNAALFPRPERYNPQRWLDIRGSGRNFHHVPFGFGMRQCLGRRLAEAEMLLLLHHVLKHFLVETLTQEDIKMVYSFILRPGTSPLLTFRAIN Cytochrome P450 11B2, mitochondrial C11B2_HUMAN P19099 B0ZBE4 Q16726 50081016 C1Cc2ccccc2C2C1C2c1cccnc1 InChI=1S/C16H15N/c1-2-6-13-11(4-1)7-8-14-15(16(13)14)12-5-3-9-17-10-12/h1-6,9-10,14-16H,7-8H2 QRKOWDMRFAGLGC-UHFFFAOYSA-N 50049776 3-(1a,2,3,7b-Tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-pyridine::CHEMBL440930 Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 87000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049776 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049776&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 10398594 103980085 CHEMBL440930 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50081017 O=C1\C(CCc2ccccc12)=C\c1ccncc1 InChI=1S/C16H13NO/c18-16-14(11-12-7-9-17-10-8-12)6-5-13-3-1-2-4-15(13)16/h1-4,7-11H,5-6H2 BMJBYWJCQGXHFI-UHFFFAOYSA-N 50009605 CHEMBL90585::2-(pyridin-4-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one::2-Pyridin-4-ylmethylene-3,4-dihydro-2H-naphthalen-1-one::2-[1-Pyridin-4-yl-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Steroid 17-alpha-hydroxylase/17,20 lyase Rattus norvegicus 37000 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50009605 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6509&target=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50009605&enzyme=Steroid+17-alpha-hydroxylase%2F17%2C20+lyase&column=ki&startPg=0&Increment=50&submit=Search 5702471 103922594 CHEMBL90585 1 MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHNPEVKKKIQKEIDQYVGFSRTPTFNDRSHLLMLEATIREVLRIRPVAPMLIPHKANVDSSIGEFTVPKDTHVVVNLWALHHDENEWDQPDQFMPERFLDPTGSHLITPTQSYLPFGAGPRSCIGEALARQELFVFTALLLQRFDLDVSDDKQLPRLEGDPKVVFLIDPFKVKITVRQAWMDAQAEVST Steroid 17-alpha-hydroxylase/17,20 lyase CP17A_RAT P11715 Q68FY2 Q6LAE5 50081018 O=C1C(CCc2ccccc12)=Cc1cnc[nH]1 |w:11.13| InChI=1S/C14H12N2O/c17-14-11(7-12-8-15-9-16-12)6-5-10-3-1-2-4-13(10)14/h1-4,7-9H,5-6H2,(H,15,16) SEHNFQNDEFTGRO-UHFFFAOYSA-N 50049763 CHEMBL168434::CHEMBL169251::2-[1-(3H-Imidazol-4-yl)-meth-(E)-ylidene]-3,4-dihydro-2H-naphthalen-1-one Aromatase Homo sapiens 170 ChEMBL 10.1021/jm950377t 10.7270/Q29K499J 8632407 Wachter, GA; Hartmann, RW; Sergejew, T; Grun, GL; Ledergerber, D 6/28/1996 11/10/2009 UniversitäT De Saarlandes http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50049763 http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=1024&target=Aromatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/rwd/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50049763&enzyme=Aromatase&column=ki&startPg=0&Increment=50&submit=Search 10376335 103980072 CHEMBL169251CHEMBL168434 1 MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGPGYCMGIGPLISHGRFLWMGIGSACNYYNRVYGEFMRVWISGEETLIISKSSSMFHIMKHNHYSSRFGSKLGLQCIGMHEKGIIFNNNPELWKTTRPFFMKALSGPGLVRMVTVCAESLKTHLDRLEEVTNESGYVDVLTLLRRVMLDTSNTLFLRIPLDESAIVVKIQGYFDAWQALLIKPDIFFKISWLYKKYEKSVKDLKDAIEVLIAEKRRRISTEEKLEECMDFATELILAEKRGDLTRENVNQCILEMLIAAPDTMSVSLFFMLFLIAKHPNVEEAIIKEIQTVIGERDIKIDDIQKLKVMENFIYESMRYQPVVDLVMRKALEDDVIDGYPVKKGTNIILNIGRMHRLEFFPKPNEFTLENFAKNVPYRYFQPFGFGPRGCAGKYIAMVMMKAILVTLLRRFHVKTLQGQCVESIQKIHDLSLHPDETKNMLEMIFTPRNSDRCLEH 5JL9,5JL7,5JL6,5JKW,5JKV,4GL7,4GL5,3S7S,3S79,3EQM Aromatase CP19A_HUMAN P11511 Q16731 Q3B764 Q58FA0 Q8IYJ7