Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM50111780'   

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))	BDBM50111780 (CHEMBL3605365) Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1 Show InChI InChI=1S/C22H31N5O8/c23-10-15-18(30)19(31)21(34-15)35-16(11-25-7-3-12-1-5-24-6-2-12)14-9-13(28)20(33-14)27-8-4-17(29)26-22(27)32/h1-2,4-6,8,13-16,18-21,25,28,30-31H,3,7,9-11,23H2,(H,26,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.08E+4	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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