new BindingDB logo
myBDB logout

BDBM50273561 CHEMBL459336::N-Methyl,N-(3-phenylpropyl)-1-methyl-1H-indole-2-carboxamide

SMILES: CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C

InChI Key: InChIKey=WCCBYXOCEYYKCC-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50273561   
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


(Bos taurus)
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.80E+3n/an/an/an/an/an/an/an/a



Sapienza Università di Roma

Curated by ChEMBL


Assay Description
Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay


Bioorg Med Chem 16: 9729-40 (2008)


Article DOI: 10.1016/j.bmc.2008.09.072
BindingDB Entry DOI: 10.7270/Q20001ZK
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273561
PNG
(CHEMBL459336 | N-Methyl,N-(3-phenylpropyl)-1-methy...)
Show SMILES CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C
Show InChI InChI=1S/C20H22N2O/c1-21(14-8-11-16-9-4-3-5-10-16)20(23)19-15-17-12-6-7-13-18(17)22(19)2/h3-7,9-10,12-13,15H,8,11,14H2,1-2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.40E+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