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BDBM15589 N-(4-Phenylbutyl)-1H-pyrrole-2-carboxamide::pyrrole inhibitor 15

SMILES: O=C(NCCCCc1ccccc1)c1ccc[nH]1

InChI Key: InChIKey=KBYBNLUYYDZWAT-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 15589   
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 Type A (MAO-A)


(Bos taurus)
BDBM15589
PNG
(N-(4-Phenylbutyl)-1H-pyrrole-2-carboxamide | pyrro...)
Show SMILES O=C(NCCCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c18-15(14-10-6-12-16-14)17-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,18)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
55 -10.3n/an/an/an/an/a7.438



Sapienza University of Rome



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Bos taurus)
BDBM15589
PNG
(N-(4-Phenylbutyl)-1H-pyrrole-2-carboxamide | pyrro...)
Show SMILES O=C(NCCCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c18-15(14-10-6-12-16-14)17-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,18)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

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Article
PubMed
5.70E+4n/an/an/an/an/an/an/an/a



Sapienza University of Rome



Assay Description
MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk...


J Med Chem 50: 922-31 (2007)


Article DOI: 10.1021/jm060882y
BindingDB Entry DOI: 10.7270/Q2GH9G61
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15589
PNG
(N-(4-Phenylbutyl)-1H-pyrrole-2-carboxamide | pyrro...)
Show SMILES O=C(NCCCCc1ccccc1)c1ccc[nH]1
Show InChI InChI=1S/C15H18N2O/c18-15(14-10-6-12-16-14)17-11-5-4-9-13-7-2-1-3-8-13/h1-3,6-8,10,12,16H,4-5,9,11H2,(H,17,18)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.50E+7n/an/an/an/an/an/an/an/a



Bharati Vidyapeeth Deemed University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A receptor


Bioorg Med Chem Lett 21: 2419-24 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.072
BindingDB Entry DOI: 10.7270/Q2QZ2C6S
More data for this
Ligand-Target Pair