Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] A' and Ligand = 'BDBM50148816'   

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] A (Rattus norvegicus (rat))	BDBM50148816 (4-(2-Fluoro-phenyl)-5H-pyridazino[4,3-b]indol-3-yl...) Show SMILES Nc1nnc2c3ccccc3[nH]c2c1-c1ccccc1F |(8.52,2.84,;6.99,2.81,;6.14,4.12,;4.61,4.04,;3.89,2.67,;2.42,2.27,;1.12,3.11,;-.25,2.41,;-.33,.9,;.96,.05,;2.33,.74,;3.77,.2,;4.73,1.37,;6.27,1.44,;7.1,.14,;8.64,.2,;9.45,-1.1,;8.73,-2.45,;7.19,-2.52,;6.38,-1.21,;4.84,-1.26,)| Show InChI InChI=1S/C16H11FN4/c17-11-7-3-1-5-9(11)13-15-14(20-21-16(13)18)10-6-2-4-8-12(10)19-15/h1-8,19H,(H2,18,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Monoamine oxidase A from rat liver mitochondria				J Med Chem 47: 3455-61 (2004) Article DOI: 10.1021/jm030479g BindingDB Entry DOI: 10.7270/Q26H4GWM
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