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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50176890'   
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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50176890
PNG
(2-(3,4-Dichloro-phenyl)-1-methyl-ethylamine | 3,4-...)
Show SMILES CC(N)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents


Similars

Article
6.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyltransferase(PNMT)


Bioorg Med Chem Lett 2: 1681-1684 (1992)


Article DOI: 10.1016/S0960-894X(00)80455-2
BindingDB Entry DOI: 10.7270/Q2F47P2V
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (Human))
BDBM50176890
PNG
(2-(3,4-Dichloro-phenyl)-1-methyl-ethylamine | 3,4-...)
Show SMILES CC(N)Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C9H11Cl2N/c1-6(12)4-7-2-3-8(10)9(11)5-7/h2-3,5-6H,4,12H2,1H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.48E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human free PNMT


J Med Chem 48: 7243-52 (2005)


Article DOI: 10.1021/jm050568o
BindingDB Entry DOI: 10.7270/Q2QC049M
More data for this
Ligand-Target Pair