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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 = 'BDBM50262708'   
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))
BDBM50262708
PNG
(CHEMBL4077779)
Show SMILES O[C@H]([C@@H](O)C(O)=O)C(O)=O.Cc1ncccc1OC1CN(C1)c1cccc(COC(=O)NC(N)=N)c1F |r|
Show InChI InChI=1S/C18H20FN5O3/c1-11-15(6-3-7-22-11)27-13-8-24(9-13)14-5-2-4-12(16(14)19)10-26-18(25)23-17(20)21/h2-7,13H,8-10H2,1H3,(H4,20,21,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 40n/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