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BDBM50046882 CHEMBL3319243

SMILES: Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl

InChI Key: InChIKey=XULJEZJHASYQSP-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50046882   
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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-A expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 882n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50046882
PNG
(CHEMBL3319243)
Show SMILES Clc1ccc(CC(=O)Nc2ccc3[nH]ncc3c2)cc1Cl
Show InChI InChI=1S/C15H11Cl2N3O/c16-12-3-1-9(5-13(12)17)6-15(21)19-11-2-4-14-10(7-11)8-18-20-14/h1-5,7-8H,6H2,(H,18,20)(H,19,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate


J Med Chem 57: 6679-703 (2014)


Article DOI: 10.1021/jm500729a
BindingDB Entry DOI: 10.7270/Q2HT2R0D
More data for this
Ligand-Target Pair