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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 = 'BDBM50024839'   
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))
BDBM50024839
PNG
(2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...)
Show SMILES N[C@@H]1CC2CC1c1ccc(O)cc21 |TLB:0:1:6.12:4,THB:7:6:4:1.2,11:12:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-11-4-6-3-10(11)8-2-1-7(13)5-9(6)8/h1-2,5-6,10-11,13H,3-4,12H2/t6?,10?,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.04E+5n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024839
PNG
(2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...)
Show SMILES N[C@@H]1CC2CC1c1ccc(O)cc21 |TLB:0:1:6.12:4,THB:7:6:4:1.2,11:12:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-11-4-6-3-10(11)8-2-1-7(13)5-9(6)8/h1-2,5-6,10-11,13H,3-4,12H2/t6?,10?,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
3.04E+5n/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