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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50028914   
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


(Homo sapiens (Human))		BDBM50028914
PNG
(7,8-dichloro-2-[7-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C25H30Cl4N2/c26-22-8-6-18-10-14-30(16-20(18)24(22)28)12-4-2-1-3-5-13-31-15-11-19-7-9-23(27)25(29)21(19)17-31/h6-9H,1-5,10-17H2
PDB
MMDB

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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rabbit adrenal phenylethanolamine N-methyl-transferase

J Med Chem 24: 756-9 (1981)


BindingDB Entry DOI: 10.7270/Q2DZ08VH
More data for this
Ligand-Target Pair		3D
3D Structure (docked)