Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Membrane primary amine oxidase' and Ligand = 'BDBM50205302'   

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
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM50205302 (CHEMBL3964548) Show SMILES OC(=O)C(O)=O.CN(Cc1cccc(c1)-c1ccc(NC(=O)N2CCOCC2)cc1)C(=O)CN Show InChI InChI=1S/C21H26N4O3/c1-24(20(26)14-22)15-16-3-2-4-18(13-16)17-5-7-19(8-6-17)23-21(27)25-9-11-28-12-10-25/h2-8,13H,9-12,14-15,22H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Inhibition of human VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured ...				Bioorg Med Chem 25: 187-201 (2017) Article DOI: 10.1016/j.bmc.2016.10.025 BindingDB Entry DOI: 10.7270/Q2XW4MS7
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