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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50034158   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50358044
PNG
(CHEMBL1917940)
Show SMILES Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1
Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells by Lineweaver-Burk plot analysis


Eur J Med Chem 46: 6104-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50358044
PNG
(CHEMBL1917940)
Show SMILES Cc1cc2C(=O)c3ccc(OCc4cccc(Cl)c4)cc3-c2nn1
Show InChI InChI=1S/C19H13ClN2O2/c1-11-7-17-18(22-21-11)16-9-14(5-6-15(16)19(17)23)24-10-12-3-2-4-13(20)8-12/h2-9H,10H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis


Eur J Med Chem 46: 6104-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50121688
PNG
(3-Methyl-8-(4,4,4-trifluoro-butoxy)-indeno[1,2-c]p...)
Show SMILES Cc1cc2C(=O)c3ccc(OCCCC(F)(F)F)cc3-c2nn1
Show InChI InChI=1S/C16H13F3N2O2/c1-9-7-13-14(21-20-9)12-8-10(3-4-11(12)15(13)22)23-6-2-5-16(17,18)19/h3-4,7-8H,2,5-6H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
280n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis


Eur J Med Chem 46: 6104-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50358045
PNG
(CHEMBL1914652)
Show SMILES Cc1cccc(COc2ccc3C(=O)c4cc(C)nnc4-c3c2)c1
Show InChI InChI=1S/C20H16N2O2/c1-12-4-3-5-14(8-12)11-24-15-6-7-16-17(10-15)19-18(20(16)23)9-13(2)21-22-19/h3-10H,11H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
480n/an/an/an/an/an/an/an/a



Facult£s Universitaires Notre-Dame de Paix

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in baculovirus-infected BTI insect cells after 1 hr by Cheng-Prusoff equation analysis


Eur J Med Chem 46: 6104-11 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.042
BindingDB Entry DOI: 10.7270/Q2BC3ZXB
More data for this
Ligand-Target Pair