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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 159.2
BDBM50023308

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50023308
PNG
(9-Aza-tricyclo[6.3.1.0*2,7*]dodeca-2(7),3,5-triene...)
Show SMILES C1C2CCN[C@H]1c1ccccc21 |TLB:7:6:0:4.3.2,10:11:0:4.3.2|
Show InChI InChI=1S/C11H13N/c1-2-4-10-9(3-1)8-5-6-12-11(10)7-8/h1-4,8,11-12H,5-7H2/t8?,11-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.74E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 433-44 (1988)


BindingDB Entry DOI: 10.7270/Q2NG4R6N
More data for this
Ligand-Target Pair