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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Membrane primary amine oxidase' and Ligand = 'BDBM50205273'   
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


(Rattus norvegicus (Rat))
BDBM50205273
PNG
(CHEMBL3948293)
Show SMILES CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN
Show InChI InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP-1 expressed in CHO cells using 14C-benzylamine as substrate preincubated for 20 mins followed by substrate addition measured af...


Bioorg Med Chem 25: 187-201 (2017)


Article DOI: 10.1016/j.bmc.2016.10.025
BindingDB Entry DOI: 10.7270/Q2XW4MS7
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50205273
PNG
(CHEMBL3948293)
Show SMILES CN(Cc1cccc(c1)-c1ccccc1)C(=O)CN
Show InChI InChI=1S/C16H18N2O/c1-18(16(19)11-17)12-13-6-5-9-15(10-13)14-7-3-2-4-8-14/h2-10H,11-12,17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/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
More data for this
Ligand-Target Pair