Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50111781'   

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 (Homo sapiens (Human))	BDBM50111781 (CHEMBL3605366) Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12 Show InChI InChI=1S/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Jena Curated by ChEMBL					Assay Description Inhibition of human recombinant MAOB				J Med Chem 58: 6710-5 (2015) Article DOI: 10.1021/acs.jmedchem.5b00958 BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
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