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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Membrane primary amine oxidase' and Ligand = 'BDBM50427008'   
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))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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 30 mins prior to substrate addition measured aft...


Bioorg Med Chem 21: 3873-81 (2013)


Article DOI: 10.1016/j.bmc.2013.04.011
BindingDB Entry DOI: 10.7270/Q22B90DG
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Rattus norvegicus (Rat))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 14n/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: 1219-33 (2013)


Article DOI: 10.1016/j.bmc.2012.12.025
BindingDB Entry DOI: 10.7270/Q2K64KDW
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 230n/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: 1219-33 (2013)


Article DOI: 10.1016/j.bmc.2012.12.025
BindingDB Entry DOI: 10.7270/Q2K64KDW
More data for this
Ligand-Target Pair
Membrane primary amine oxidase


(Homo sapiens (Human))
BDBM50427008
PNG
(CHEMBL2326864)
Show SMILES [#6]-[#6](=O)-[#7]-c1nc(-[#6]-[#6]-c2ccc(cc2)\[#7]=[#6](\[#7])-[#7])cs1
Show InChI InChI=1S/C14H17N5OS/c1-9(20)17-14-19-12(8-21-14)7-4-10-2-5-11(6-3-10)18-13(15)16/h2-3,5-6,8H,4,7H2,1H3,(H4,15,16,18)(H,17,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 230n/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 30 mins prior to substrate addition measured a...


Bioorg Med Chem 21: 3873-81 (2013)


Article DOI: 10.1016/j.bmc.2013.04.011
BindingDB Entry DOI: 10.7270/Q22B90DG
More data for this
Ligand-Target Pair