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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 = 'BDBM50433258'   
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))
BDBM50433258
PNG
(CHEMBL2376166)
Show SMILES [#6]-[#7](-[#6])S(=O)(=O)c1ccc(-[#6]-c2sc(-[#7]-[#6](-[#6])=O)nc2-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C23H28N6O3S2/c1-15(30)26-23-28-20(13-8-16-4-9-18(10-5-16)27-22(24)25)21(33-23)14-17-6-11-19(12-7-17)34(31,32)29(2)3/h4-7,9-12H,8,13-14H2,1-3H3,(H4,24,25,27)(H,26,28,30)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after 1...


Bioorg Med Chem 21: 2478-94 (2013)


Article DOI: 10.1016/j.bmc.2013.02.048
BindingDB Entry DOI: 10.7270/Q2M046TZ
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50433258
PNG
(CHEMBL2376166)
Show SMILES [#6]-[#7](-[#6])S(=O)(=O)c1ccc(-[#6]-c2sc(-[#7]-[#6](-[#6])=O)nc2-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cc1
Show InChI InChI=1S/C23H28N6O3S2/c1-15(30)26-23-28-20(13-8-16-4-9-18(10-5-16)27-22(24)25)21(33-23)14-17-6-11-19(12-7-17)34(31,32)29(2)3/h4-7,9-12H,8,13-14H2,1-3H3,(H4,24,25,27)(H,26,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of human VAP1 expressed in CHO cells using [14C]-benzylamine as substrate incubated for 30 mins prior to substrate addition measured after...


Bioorg Med Chem 21: 2478-94 (2013)


Article DOI: 10.1016/j.bmc.2013.02.048
BindingDB Entry DOI: 10.7270/Q2M046TZ
More data for this
Ligand-Target Pair