Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 364.1 BDBM50542442

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Lanosterol synthase (Rattus norvegicus)	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of COMT (unknown origin)				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127188 BindingDB Entry DOI: 10.7270/Q24Q7ZKZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Homo sapiens (Human))	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOB expressed in insect cells measured after 20 mins by fluorescence spectrophotometry				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127188 BindingDB Entry DOI: 10.7270/Q24Q7ZKZ
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM50542442 (CHEMBL4632987) Show SMILES Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)\C=C\c1cccc(Br)c1 Show InChI InChI=1S/C15H10BrNO5/c16-11-3-1-2-9(6-11)4-5-13(18)10-7-12(17(21)22)15(20)14(19)8-10/h1-8,19-20H/b5-4+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.61E+4	n/a	n/a	n/a	n/a	n/a	n/a
North-West University Curated by ChEMBL					Assay Description Inhibition of recombinant human MAOA expressed in insect cells measured after 20 mins by fluorescence spectrophotometry				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127188 BindingDB Entry DOI: 10.7270/Q24Q7ZKZ
					More data for this Ligand-Target Pair