Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 315.2 BDBM50542443

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

Found 2 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)	BDBM50542443 (CHEMBL4639358) Show SMILES COc1cccc(\C=C\C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H13NO6/c1-23-12-4-2-3-10(7-12)5-6-14(18)11-8-13(17(21)22)16(20)15(19)9-11/h2-9,19-20H,1H3/b6-5+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	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] A (Homo sapiens (Human))	BDBM50542443 (CHEMBL4639358) Show SMILES COc1cccc(\C=C\C(=O)c2cc(O)c(O)c(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C16H13NO6/c1-23-12-4-2-3-10(7-12)5-6-14(18)11-8-13(17(21)22)16(20)15(19)9-11/h2-9,19-20H,1H3/b6-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.76E+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