Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50116063'   

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
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50116063 (CHEMBL69975 | N-((S)-3-{4-[(Z)-2-Bromo-2-(5-cyano-...) Show SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(\C=C(/Br)c2cncc(c2)C#N)c(F)c1 Show InChI InChI=1S/C20H16BrFN4O3/c1-12(27)25-10-17-11-26(20(28)29-17)16-3-2-14(19(22)6-16)5-18(21)15-4-13(7-23)8-24-9-15/h2-6,8-9,17H,10-11H2,1H3,(H,25,27)/b18-5-/t17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase B in rat primary hepatocytes				Bioorg Med Chem Lett 12: 2121-3 (2002) BindingDB Entry DOI: 10.7270/Q2XG9QFR
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