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BDBM50031018 4-(5-Oxo-5H-indeno[1,2-c]pyridazin-3-yl)-benzonitrile::4-(5-oxo-5H-indeno[1,2-c]pyridazin-3-yl)benzonitrile::CHEMBL339429

SMILES: O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N

InChI Key: InChIKey=GAYXQEZJMDLSKC-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50031018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50031018
PNG
(4-(5-Oxo-5H-indeno[1,2-c]pyridazin-3-yl)-benzonitr...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H9N3O/c19-10-11-5-7-12(8-6-11)16-9-15-17(21-20-16)13-3-1-2-4-14(13)18(15)22/h1-9H
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Article
PubMed
n/an/a 2.50E+4n/an/an/an/an/an/a



Université de Lausanne

Curated by ChEMBL


Assay Description
Ability to inhibit Monoamine oxidase A enzyme


J Med Chem 38: 3874-83 (1995)


Article DOI: 10.1021/jm00019a018
BindingDB Entry DOI: 10.7270/Q26972M4
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50031018
PNG
(4-(5-Oxo-5H-indeno[1,2-c]pyridazin-3-yl)-benzonitr...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H9N3O/c19-10-11-5-7-12(8-6-11)16-9-15-17(21-20-16)13-3-1-2-4-14(13)18(15)22/h1-9H
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KEGG

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PubMed
n/an/a 2.19E+3n/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


(Homo sapiens (Human))
BDBM50031018
PNG
(4-(5-Oxo-5H-indeno[1,2-c]pyridazin-3-yl)-benzonitr...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H9N3O/c19-10-11-5-7-12(8-6-11)16-9-15-17(21-20-16)13-3-1-2-4-14(13)18(15)22/h1-9H
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antibodypedia
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PC cid
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Article
PubMed
n/an/a 117n/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
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50031018
PNG
(4-(5-Oxo-5H-indeno[1,2-c]pyridazin-3-yl)-benzonitr...)
Show SMILES O=C1c2ccccc2-c2nnc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H9N3O/c19-10-11-5-7-12(8-6-11)16-9-15-17(21-20-16)13-3-1-2-4-14(13)18(15)22/h1-9H
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+3n/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)


Article DOI: 10.1021/jm00019a018
BindingDB Entry DOI: 10.7270/Q26972M4
More data for this
Ligand-Target Pair