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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Monoamine oxidase' and Ligand = 'BDBM50105417'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine oxidase


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
PDB

UniProtKB/SwissProt

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124n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL




J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
163n/an/an/an/an/an/an/an/a



Temple University

Curated by ChEMBL




J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 30n/an/an/an/an/an/a



CV Technologies Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit Monoamine oxidase A activity in rat whole brain in vitro


Bioorg Med Chem Lett 11: 2715-7 (2001)


BindingDB Entry DOI: 10.7270/Q2Z60NC5
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 143n/an/an/an/an/an/a



Temple University

Curated by ChEMBL




J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50105417
PNG
(CHEMBL1089 | Nardil | PHENELZINE | Phenethyl-hydra...)
Show SMILES NNCCc1ccccc1
Show InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 238n/an/an/an/an/an/a



Temple University

Curated by ChEMBL




J Nat Prod 79: 2538-2544 (2016)


Article DOI: 10.1021/acs.jnatprod.6b00440
More data for this
Ligand-Target Pair