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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Amine oxidase [flavin-containing] B' and Ligand = 'BDBM19164'   
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))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
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Article
PubMed
n/an/a 178n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of human supersomes MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

KEGG

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B.MOAD
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PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



University of Geneva

Curated by ChEMBL


Assay Description
Inhibition of rat brain MAOB


J Med Chem 49: 6264-72 (2006)


Article DOI: 10.1021/jm060441e
BindingDB Entry DOI: 10.7270/Q2X63P5Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

KEGG

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CHEMBL
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Article
PubMed
n/an/a 2.09E+4n/an/an/an/an/an/a



Université de Neuchâtel

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B from rat brain mitochondria


J Med Chem 41: 3812-20 (1998)


Article DOI: 10.1021/jm981005y
BindingDB Entry DOI: 10.7270/Q2F18XVD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Université de Neuchâtel

Curated by ChEMBL


Assay Description
Inhibitory activity against Monoamine oxidase B from rat brain mitochondria


J Med Chem 41: 3812-20 (1998)


Article DOI: 10.1021/jm981005y
BindingDB Entry DOI: 10.7270/Q2F18XVD
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

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PC sid
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Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Bari



Assay Description
A continuous spectrophotometric assay that monitors the rate of oxidation of the nonselective MAO substrate kynuramine into 4-hydroxyquinoline was us...


J Med Chem 50: 5364-71 (2007)


Article DOI: 10.1021/jm070728r
BindingDB Entry DOI: 10.7270/Q2JD4V2G
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Rattus norvegicus (rat))
BDBM19164
PNG
(3-phenyl-5H-indeno[1,2-c]pyridazin-5-one | Aza-het...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Université de Lausanne

Curated by ChEMBL


Assay Description
Ability to inhibit Monoamine oxidase B enzyme


J Med Chem 38: 3874-83 (1995)


BindingDB Entry DOI: 10.7270/Q26972M4
More data for this
Ligand-Target Pair