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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase' and Ligand = 'BDBM50367283'   
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))
BDBM50367283
PNG
(CHEMBL292281)
Show SMILES N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)11-7(6)2-1-3-10(11)13/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>3.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.


J Med Chem 30: 2208-16 (1988)


BindingDB Entry DOI: 10.7270/Q2CC119N
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50367283
PNG
(CHEMBL292281)
Show SMILES N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)11-7(6)2-1-3-10(11)13/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
>3.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine phenylethanolamine N-methyl-transferase


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50367283
PNG
(CHEMBL292281)
Show SMILES N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)11-7(6)2-1-3-10(11)13/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.00E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested in vitro inhibition of phenylethanolamine N-methyl-transferase (PNMT) activity using radiochemical assay


J Med Chem 29: 1972-82 (1986)


BindingDB Entry DOI: 10.7270/Q2K64JNM
More data for this
Ligand-Target Pair