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Compile Data Set for Download or QSAR

Found 31 hits of ph data with Target = 'Phenylethanolamine N-methyltransferase'   
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))
BDBM13014
PNG
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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PubMed
3.10 -50.5n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13027
PNG
(3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4...)
Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C12H15F3N2O3S/c13-12(14,15)7-17-21(19,20)11-2-1-8-3-10(6-18)16-5-9(8)4-11/h1-2,4,10,16-18H,3,5-7H2
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23 -45.4n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13023
PNG
(3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7...)
Show SMILES NS(=O)(=O)c1ccc2CC(CO)NCc2c1
Show InChI InChI=1S/C10H14N2O3S/c11-16(14,15)10-2-1-7-3-9(6-13)12-5-8(7)4-10/h1-2,4,9,12-13H,3,5-6H2,(H2,11,14,15)
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52 -43.2n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13025
PNG
(7-sulfonamide-THIQ 15 | CHEMBL176112 | N-(4-chloro...)
Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2
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63 -42.8n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13026
PNG
(3-(fluoromethyl)-N-(2,2,2-trifluoroethyl)-1,2,3,4-...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCC(F)(F)F
Show InChI InChI=1S/C12H14F4N2O2S/c13-5-10-3-8-1-2-11(4-9(8)6-17-10)21(19,20)18-7-12(14,15)16/h1-2,4,10,17-18H,3,5-7H2
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130 -40.9n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13022
PNG
(3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-...)
Show SMILES NS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)
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150 -40.5n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13014
PNG
(7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydr...)
Show SMILES Clc1ccc2CCNCc2c1Cl
Show InChI InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
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220 -39.5n/an/an/an/an/a8.037



University of Queensland



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 47: 37-44 (2004)


Article DOI: 10.1021/jm0205752
BindingDB Entry DOI: 10.7270/Q21R6NRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13028
PNG
(3-(fluoromethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,4...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
Show InChI InChI=1S/C13H16F4N2O2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)22(20,21)19-4-3-13(15,16)17/h1-2,6,11,18-19H,3-5,7-8H2
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220 -39.5n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM14061
PNG
(8,9-Dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine |...)
Show SMILES Clc1ccc2CCCNCc2c1Cl
Show InChI InChI=1S/C10H11Cl2N/c11-9-4-3-7-2-1-5-13-6-8(7)10(9)12/h3-4,13H,1-2,5-6H2
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260 -39.1n/an/an/an/an/a8.037



University of Queensland



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 47: 37-44 (2004)


Article DOI: 10.1021/jm0205752
BindingDB Entry DOI: 10.7270/Q21R6NRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13024
PNG
(7-sulfonamide-THIQ 14 | CHEMBL290890 | N-(4-chloro...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C16H16ClFN2O2S/c17-13-2-4-14(5-3-13)20-23(21,22)16-6-1-11-7-15(9-18)19-10-12(11)8-16/h1-6,8,15,19-20H,7,9-10H2
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270 -39.0n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13017
PNG
(1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
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280 -38.9n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM14060
PNG
(7-Iodo-1,2,3,4-tetrahydroisoquinoline | CHEMBL2682...)
Show SMILES Ic1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10IN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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370 -38.2n/an/an/an/an/a8.037



University of Queensland



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 47: 37-44 (2004)


Article DOI: 10.1021/jm0205752
BindingDB Entry DOI: 10.7270/Q21R6NRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM13017
PNG
(1,2,3,4-tetrahydroisoquinoline-7-sulfonamide | CHE...)
Show SMILES NS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13)
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560 -37.1n/an/an/an/an/a8.037



University of Queensland



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 47: 37-44 (2004)


Article DOI: 10.1021/jm0205752
BindingDB Entry DOI: 10.7270/Q21R6NRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13018
PNG
(7-methanesulfonyl-1,2,3,4-tetrahydroisoquinoline |...)
Show SMILES CS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO2S/c1-14(12,13)10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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790 -36.2n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13041
PNG
(3-(fluoromethyl)-7-methanesulfonyl-1,2,3,4-tetrahy...)
Show SMILES CS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C11H14FNO2S/c1-16(14,15)11-3-2-8-4-10(6-12)13-7-9(8)5-11/h2-3,5,10,13H,4,6-7H2,1H3
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1.10E+3 -35.4n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13034
PNG
(((+/-)-3-Fluoromethyl-7-(3,3,3-trifluoropropylsulf...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCC(F)(F)F
Show InChI InChI=1S/C13H15F4NO2S/c14-7-11-5-9-1-2-12(6-10(9)8-18-11)21(19,20)4-3-13(15,16)17/h1-2,6,11,18H,3-5,7-8H2
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1.30E+3 -34.9n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13030
PNG
(7-sulfonamide-THIQ 20 | CHEMBL177861 | N-ethyl-3-(...)
Show SMILES CCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C12H17FN2O2S/c1-2-15-18(16,17)12-4-3-9-5-11(7-13)14-8-10(9)6-12/h3-4,6,11,14-15H,2,5,7-8H2,1H3
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1.40E+3 -34.8n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13040
PNG
(3-(fluoromethyl)-7-[(2,2,2-trifluoroethane)sulfony...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)CC(F)(F)F
Show InChI InChI=1S/C12H13F4NO2S/c13-5-10-3-8-1-2-11(4-9(8)6-17-10)20(18,19)7-12(14,15)16/h1-2,4,10,17H,3,5-7H2
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1.40E+3 -34.8n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13031
PNG
(3-(fluoromethyl)-N-propyl-1,2,3,4-tetrahydroisoqui...)
Show SMILES CCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C13H19FN2O2S/c1-2-5-16-19(17,18)13-4-3-10-6-12(8-14)15-9-11(10)7-13/h3-4,7,12,15-16H,2,5-6,8-9H2,1H3
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1.70E+3 -34.3n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13037
PNG
(3-(fluoromethyl)-7-(propane-1-sulfonyl)-1,2,3,4-te...)
Show SMILES CCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C13H18FNO2S/c1-2-5-18(16,17)13-4-3-10-6-12(8-14)15-9-11(10)7-13/h3-4,7,12,15H,2,5-6,8-9H2,1H3
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2.40E+3 -33.4n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13029
PNG
(3-(fluoromethyl)-N-methyl-1,2,3,4-tetrahydroisoqui...)
Show SMILES CNS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C11H15FN2O2S/c1-13-17(15,16)11-3-2-8-4-10(6-12)14-7-9(8)5-11/h2-3,5,10,13-14H,4,6-7H2,1H3
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3.70E+3 -32.3n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13032
PNG
(3-(fluoromethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrah...)
Show SMILES COCCNS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C13H19FN2O3S/c1-19-5-4-16-20(17,18)13-3-2-10-6-12(8-14)15-9-11(10)7-13/h2-3,7,12,15-16H,4-6,8-9H2,1H3
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5.10E+3 -31.4n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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5.80E+3 -31.1n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13021
PNG
(7-(trichloromethane)sulfonyl-1,2,3,4-tetrahydroiso...)
Show SMILES ClC(Cl)(Cl)S(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10Cl3NO2S/c11-10(12,13)17(15,16)9-2-1-7-3-4-14-6-8(7)5-9/h1-2,5,14H,3-4,6H2
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6.30E+3 -30.9n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13020
PNG
(7-(prop-2-ene-1-sulfonyl)-1,2,3,4-tetrahydroisoqui...)
Show SMILES C=CCS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C12H15NO2S/c1-2-7-16(14,15)12-4-3-10-5-6-13-9-11(10)8-12/h2-4,8,13H,1,5-7,9H2
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9.00E+3 -30.0n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13036
PNG
(((+/-)-7-Ethylsulfonyl-3-fluoromethyl-1,2,3,4-tetr...)
Show SMILES CCS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C12H16FNO2S/c1-2-17(15,16)12-4-3-9-5-11(7-13)14-8-10(9)6-12/h3-4,6,11,14H,2,5,7-8H2,1H3
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1.40E+4 -28.8n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13038
PNG
(7-(butane-1-sulfonyl)-3-(fluoromethyl)-1,2,3,4-tet...)
Show SMILES CCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C14H20FNO2S/c1-2-3-6-19(17,18)14-5-4-11-7-13(9-15)16-10-12(11)8-14/h4-5,8,13,16H,2-3,6-7,9-10H2,1H3
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1.80E+4 -28.2n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13019
PNG
(7-(benzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline...)
Show SMILES O=S(=O)(c1ccccc1)c1ccc2CCNCc2c1
Show InChI InChI=1S/C15H15NO2S/c17-19(18,14-4-2-1-3-5-14)15-7-6-12-8-9-16-11-13(12)10-15/h1-7,10,16H,8-9,11H2
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2.30E+4 -27.5n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13033
PNG
(((+/-)-3-Fluoromethyl-7-(4-chlorobenzylsulfonyl)-1...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C17H17ClFNO2S/c18-15-4-1-12(2-5-15)11-23(21,22)17-6-3-13-7-16(9-19)20-10-14(13)8-17/h1-6,8,16,20H,7,9-11H2
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3.20E+4 -26.7n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13035
PNG
(((+/-)-3-Fluoromethyl-7-(4,4,4-trifluorobutylsulfo...)
Show SMILES FCC1Cc2ccc(cc2CN1)S(=O)(=O)CCCC(F)(F)F
Show InChI InChI=1S/C14H17F4NO2S/c15-8-12-6-10-2-3-13(7-11(10)9-19-12)22(20,21)5-1-4-14(16,17)18/h2-3,7,12,19H,1,4-6,8-9H2
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6.70E+4 -24.8n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM13039
PNG
(3-(fluoromethyl)-7-[(3-methoxypropane)sulfonyl]-1,...)
Show SMILES COCCCS(=O)(=O)c1ccc2CC(CF)NCc2c1
Show InChI InChI=1S/C14H20FNO3S/c1-19-5-2-6-20(17,18)14-4-3-11-7-13(9-15)16-10-12(11)8-14/h3-4,8,13,16H,2,5-7,9-10H2,1H3
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7.20E+4 -24.6n/an/an/an/an/a8.037



University of Kansas



Assay Description
Enzyme activity is determined by measuring the amount of 3H incorporated into the substrate during the reaction. AdoMet/[methyl-3H]AdoMet serves as a...


J Med Chem 49: 5424-33 (2006)


Article DOI: 10.1021/jm060466d
BindingDB Entry DOI: 10.7270/Q2DB802Q
More data for this
Ligand-Target Pair