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10 molecules are shown

Wt: 212.2
BDBM13017
Purchase
Wt: 211.2
BDBM13018
Purchase
Wt: 242.2
BDBM13023
Wt: 258.3
BDBM13029
Wt: 226.2
BDBM50061313
Wt: 286.3
BDBM50151331
Wt: 272.3
BDBM50163105
Wt: 280.2
BDBM50174122
Wt: 262.2
BDBM50186677
Wt: 270.3
BDBM50240933

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 53 hits for monomerid = 13017,13018,13023,13029,50061313,50151331,50163105,50174122,50186677,50240933   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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52n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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52n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity against human phenylethanolamine N-Methyltransferase


J Med Chem 48: 134-40 (2005)


Article DOI: 10.1021/jm049368n
BindingDB Entry DOI: 10.7270/Q2513XQ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 -10.3n/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))
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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120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human wild type his-tagged PNMT


J Med Chem 48: 7243-52 (2005)


Article DOI: 10.1021/jm050568o
BindingDB Entry DOI: 10.7270/Q2QC049M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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120n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to wild type human PNMT by liquid scintillation spectrometry in presence of [3H]AdoMet


Bioorg Med Chem Lett 19: 1071-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.014
BindingDB Entry DOI: 10.7270/Q2ZS2WCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50240933
PNG
(3-Hydroxymethyl-1,2,3,4-tetrahydro-isoquinoline-7-...)
Show SMILES CCNS(=O)(=O)c1ccc2CC(CO)NCc2c1
Show InChI InChI=1S/C12H18N2O3S/c1-2-14-18(16,17)12-4-3-9-5-11(8-15)13-7-10(9)6-12/h3-4,6,11,13-15H,2,5,7-8H2,1H3
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170n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity against human phenylethanolamine N-Methyltransferase


J Med Chem 48: 134-40 (2005)


Article DOI: 10.1021/jm049368n
BindingDB Entry DOI: 10.7270/Q2513XQ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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280n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory binding affinity for phenylethanolamine N-methyltransferase (PNMT)


Bioorg Med Chem Lett 14: 4217-20 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.009
BindingDB Entry DOI: 10.7270/Q2R49Q6M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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280n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human PNMT


Bioorg Med Chem 15: 1298-310 (2007)


Article DOI: 10.1016/j.bmc.2006.11.010
BindingDB Entry DOI: 10.7270/Q2HD7V9F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 -9.29n/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))
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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280n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21


J Med Chem 47: 4483-93 (2004)


Article DOI: 10.1021/jm0400653
BindingDB Entry DOI: 10.7270/Q20G3JM8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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280n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
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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280n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine PNMT by radiochemical assay


Bioorg Med Chem 16: 542-59 (2008)


Article DOI: 10.1016/j.bmc.2007.08.066
BindingDB Entry DOI: 10.7270/Q24B312R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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280n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity against human phenylethanolamine N-Methyltransferase


J Med Chem 48: 134-40 (2005)


Article DOI: 10.1021/jm049368n
BindingDB Entry DOI: 10.7270/Q2513XQ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 44: 2849-56 (2001)


Article DOI: 10.1021/jm010147g
BindingDB Entry DOI: 10.7270/Q2N58KNT
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).


J Med Chem 42: 4351-61 (1999)


Article DOI: 10.1021/jm990086a
BindingDB Entry DOI: 10.7270/Q2X0667W
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Affinity for bovine Phenylethanolamine N-Methyltransferase


J Med Chem 42: 3588-601 (1999)


Article DOI: 10.1021/jm990045e
BindingDB Entry DOI: 10.7270/Q2NV9HFK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal Phenylethanolamine N-Methyltransferase


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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340n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro


J Med Chem 42: 3315-23 (1999)


Article DOI: 10.1021/jm980734a
BindingDB Entry DOI: 10.7270/Q2513XD6
More data for this
Ligand-Target Pair
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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550n/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)


Article DOI: 10.1021/jm00395a006
BindingDB Entry DOI: 10.7270/Q2CC119N
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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550n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
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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550n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 42: 1982-90 (1999)


Article DOI: 10.1021/jm9807252
BindingDB Entry DOI: 10.7270/Q2959GR6
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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550n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 40: 3997-4005 (1998)


Article DOI: 10.1021/jm960235e
BindingDB Entry DOI: 10.7270/Q2B27TDC
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 -8.87n/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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560n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
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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560n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Ability to inhibit phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 44: 2849-56 (2001)


Article DOI: 10.1021/jm010147g
BindingDB Entry DOI: 10.7270/Q2N58KNT
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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560n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of PNMT (Phenylethanolamine N-Methyltransferase) in vitro


J Med Chem 42: 3315-23 (1999)


Article DOI: 10.1021/jm980734a
BindingDB Entry DOI: 10.7270/Q2513XD6
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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560n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of PNMT (Phenylethanolamine N-Methyltransferase).


J Med Chem 42: 4351-61 (1999)


Article DOI: 10.1021/jm990086a
BindingDB Entry DOI: 10.7270/Q2X0667W
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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560n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Affinity for bovine Phenylethanolamine N-Methyltransferase


J Med Chem 42: 3588-601 (1999)


Article DOI: 10.1021/jm990045e
BindingDB Entry DOI: 10.7270/Q2NV9HFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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580n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50186677
PNG
((+/)-7-aminosulfonyl-3-difluoromethyl-1,2,3,4-tetr...)
Show SMILES NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)F
Show InChI InChI=1S/C10H12F2N2O2S/c11-10(12)9-4-6-1-2-8(17(13,15)16)3-7(6)5-14-9/h1-3,9-10,14H,4-5H2,(H2,13,15,16)
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680n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity to human PNMT


J Med Chem 49: 2939-52 (2006)


Article DOI: 10.1021/jm051262k
BindingDB Entry DOI: 10.7270/Q2K64HQ3
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50163105
PNG
((R)-3-Fluoromethyl-1,2,3,4-tetrahydro-isoquinoline...)
Show SMILES CCNS(=O)(=O)c1ccc2C[C@H](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/t11-/m1/s1
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750n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity against recombinant human Phenylethanolamine N-methyltransferase expressed in E. coli using [methyl-3H]-AdoMet


J Med Chem 48: 1806-12 (2005)


Article DOI: 10.1021/jm049594x
BindingDB Entry DOI: 10.7270/Q2TX3DW4
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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 -8.65n/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


(Bos taurus (bovine))
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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1.30E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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1.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
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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1.91E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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2.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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2.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Affinity for bovine Phenylethanolamine N-Methyltransferase


J Med Chem 42: 3588-601 (1999)


Article DOI: 10.1021/jm990045e
BindingDB Entry DOI: 10.7270/Q2NV9HFK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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2.82E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
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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2.84E+3n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Binding affinity to human free PNMT


J Med Chem 48: 7243-52 (2005)


Article DOI: 10.1021/jm050568o
BindingDB Entry DOI: 10.7270/Q2QC049M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Alpha-2A adrenergic receptor


(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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3.40E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2A adrenergic receptor in CHO cells using [3H]-RX-821002 as radioligand


Bioorg Med Chem Lett 15: 1143-7 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.013
BindingDB Entry DOI: 10.7270/Q2X63MFG
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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Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]-methyl-AdoMet binding to human phenylethnolamine N-methyltransferase expressed in E. coli BL21


J Med Chem 47: 4483-93 (2004)


Article DOI: 10.1021/jm0400653
BindingDB Entry DOI: 10.7270/Q20G3JM8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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PubMed
3.70E+3 -7.70n/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


(Bos taurus (bovine))
BDBM50061313
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-sulfonic acid me...)
Show SMILES CNS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
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PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 40: 3997-4005 (1998)


Article DOI: 10.1021/jm960235e
BindingDB Entry DOI: 10.7270/Q2B27TDC
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50061313
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-sulfonic acid me...)
Show SMILES CNS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
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PubMed
4.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against bovine phenylethanolamine N-methyl-transferase


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50061313
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-sulfonic acid me...)
Show SMILES CNS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
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4.84E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50174122
PNG
(3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline...)
Show SMILES NS(=O)(=O)c1ccc2CC(NCc2c1)C(F)(F)F
Show InChI InChI=1S/C10H11F3N2O2S/c11-10(12,13)9-4-6-1-2-8(18(14,16)17)3-7(6)5-15-9/h1-3,9,15H,4-5H2,(H2,14,16,17)
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PubMed
8.00E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against human PNMT


Bioorg Med Chem Lett 15: 5319-23 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.033
BindingDB Entry DOI: 10.7270/Q20V8CB9
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
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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PubMed
1.83E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50061313
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-sulfonic acid me...)
Show SMILES CNS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
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PubMed
2.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory constant against human phenylethanolamine N-methyl-transferase over-expressed in Escherichia coli


Bioorg Med Chem Lett 11: 1579-82 (2001)


Article DOI: 10.1016/s0960-894x(01)00245-1
BindingDB Entry DOI: 10.7270/Q2GF0V17
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50061313
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-sulfonic acid me...)
Show SMILES CNS(=O)(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H14N2O2S/c1-11-15(13,14)10-3-2-8-4-5-12-7-9(8)6-10/h2-3,6,11-12H,4-5,7H2,1H3
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PubMed
2.07E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
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