new BindingDB logo
myBDB logout

BDBM50273530 CHEMBL460609::N-(3-Phenylpropyl)-1H-indole-2-carboxamide

SMILES: O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1

InChI Key: InChIKey=RUVMVFFYHGKXTD-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 = 50273530   
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)
BDBM50273530
PNG
(CHEMBL460609 | N-(3-Phenylpropyl)-1H-indole-2-carb...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5n/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
Monoamine oxidase


(Bos taurus)
BDBM50273530
PNG
(CHEMBL460609 | N-(3-Phenylpropyl)-1H-indole-2-carb...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
800n/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
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50273530
PNG
(CHEMBL460609 | N-(3-Phenylpropyl)-1H-indole-2-carb...)
Show SMILES O=C(NCCCc1ccccc1)c1cc2ccccc2[nH]1
Show InChI InChI=1S/C18H18N2O/c21-18(17-13-15-10-4-5-11-16(15)20-17)19-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,13,20H,6,9,12H2,(H,19,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.00E+6n/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