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Compile Data Set for Download or QSAR

Found 7 hits of ic50 for monomerid = 50105417   
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
Vascular adhesion protein 1 (VAP-1)


(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
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KEGG

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PubMed
n/an/a 19.9n/an/an/an/an/an/a



FI-40014 University of Jyvaskyla

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method


J Med Chem 53: 6301-15 (2010)


Article DOI: 10.1021/jm100337z
BindingDB Entry DOI: 10.7270/Q2V1261D
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
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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 Type B (MAO-B)


(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
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PubMed
n/an/a 76n/an/an/an/an/an/a



CV Technologies Inc.

Curated by ChEMBL


Assay Description
In vitro ability of the compound to inhibit Monoamine oxidase B 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
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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
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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
Indoleamine 2,3-dioxygenase 1


(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
MMDB

Reactome pathway
KEGG

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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Swiss Institute of Bioinformatics

Curated by ChEMBL


Assay Description
Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC


Eur J Med Chem 84: 284-301 (2014)


Article DOI: 10.1016/j.ejmech.2014.06.078
BindingDB Entry DOI: 10.7270/Q21C1ZJV
More data for this
Ligand-Target Pair
Bile salt export pump


(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
UniProtKB/SwissProt

antibodypedia
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>8.97E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair