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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Membrane primary amine oxidase' and Ligand = 'BDBM50262736'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Membrane primary amine oxidase


(Homo sapiens (Human))		BDBM50262736
PNG
(CHEMBL4076616)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.NC(=N)NC(=O)OCc1ccc(F)c(c1F)-c1cnc(nc1)N1CCOCC1.NC(=N)NC(=O)OCc1ccc(F)c(c1F)-c1cnc(nc1)N1CCOCC1 |r|
Show InChI InChI=1S/C17H18F2N6O3/c18-12-2-1-10(9-28-17(26)24-15(20)21)14(19)13(12)11-7-22-16(23-8-11)25-3-5-27-6-4-25/h1-2,7-8H,3-6,9H2,(H4,20,21,24,26)
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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Drug Discovery Research, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba, Ibaraki 305-8585, Japan. Electronic address: susumu.yamaki@astellas.com.

Curated by ChEMBL


Assay Description
Inhibition of human VAP-1 expressed in CHO cells preincubated for 20 mins followed by [14C]-benzylamine addition measured after 1 hr by scintillation...

Bioorg Med Chem 25: 6024-6038 (2017)


Article DOI: 10.1016/j.bmc.2017.09.036
BindingDB Entry DOI: 10.7270/Q2B27XR3
More data for this
Ligand-Target Pair