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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50021751   
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))
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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3.10n/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))
BDBM50077544
PNG
((S)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES C[C@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m0/s1
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16n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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 (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50174121
PNG
(7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline | ...)
Show SMILES CC1Cc2ccc(Br)cc2CN1
Show InChI InChI=1S/C10H12BrN/c1-7-4-8-2-3-10(11)5-9(8)6-12-7/h2-3,5,7,12H,4,6H2,1H3
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17n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072977
PNG
(7-Bromo-1,2,3,4-tetrahydro-isoquinoline | 7-bromo-...)
Show SMILES Brc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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56n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50227503
PNG
(3-Methyl-1,2,3,4-tetrahydro-benzo[4,5]thieno[3,2-c...)
Show SMILES CC1Cc2sc3ccccc3c2CN1
Show InChI InChI=1S/C12H13NS/c1-8-6-12-10(7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13H,6-7H2,1H3
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67n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50077543
PNG
(3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoline |...)
Show SMILES CC1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3
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72n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072991
PNG
(7-Nitro-1,2,3,4-tetrahydro-isoquinoline | 7-nitro-...)
Show SMILES [O-][N+](=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2
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120n/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
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))
BDBM50227499
PNG
((S)-6-methyl-2-nitro-4,5,6,7-tetrahydrothieno[3,2-...)
Show SMILES C[C@H]1Cc2sc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C8H10N2O2S/c1-5-2-7-6(4-9-5)3-8(13-7)10(11)12/h3,5,9H,2,4H2,1H3/t5-/m0/s1
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480n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227517
PNG
(2-bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]py...)
Show SMILES CC1Cc2sc(Br)cc2CN1
Show InChI InChI=1S/C8H10BrNS/c1-5-2-7-6(4-10-5)3-8(9)11-7/h3,5,10H,2,4H2,1H3
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730n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227502
PNG
(2-bromo-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridi...)
Show SMILES BrC1=CC2CNCCC2S1
Show InChI InChI=1S/C7H10BrNS/c8-7-3-5-4-9-2-1-6(5)10-7/h3,5-6,9H,1-2,4H2
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1.20E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50023304
PNG
(3-Methyl-1,2,3,4-tetrahydro-isoquinoline | 3-methy...)
Show SMILES CC1Cc2ccccc2CN1
Show InChI InChI=1S/C10H13N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-5,8,11H,6-7H2,1H3
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1.40E+3n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072989
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-carbonitrile | 1...)
Show SMILES N#Cc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H10N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-2,5,12H,3-4,7H2
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1.50E+3n/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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50077538
PNG
((R)-3-Methyl-7-nitro-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES C[C@@H]1Cc2ccc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C10H12N2O2/c1-7-4-8-2-3-10(12(13)14)5-9(8)6-11-7/h2-3,5,7,11H,4,6H2,1H3/t7-/m1/s1
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1.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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 (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072981
PNG
(7-Methyl-1,2,3,4-tetrahydro-isoquinoline | 7-methy...)
Show SMILES Cc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13N/c1-8-2-3-9-4-5-11-7-10(9)6-8/h2-3,6,11H,4-5,7H2,1H3
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2.00E+3n/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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227512
PNG
(2-nitro-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyridi...)
Show SMILES [O-][N+](=O)C1=CC2CNCCC2S1
Show InChI InChI=1S/C7H10N2O2S/c10-9(11)7-3-5-4-8-2-1-6(5)12-7/h3,5-6,8H,1-2,4H2
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2.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50079902
PNG
(7-Bromo-3-trifluoromethyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES FC(F)(F)C1Cc2ccc(Br)cc2CN1
Show InChI InChI=1S/C10H9BrF3N/c11-8-2-1-6-4-9(10(12,13)14)15-5-7(6)3-8/h1-3,9,15H,4-5H2
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3.20E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227505
PNG
((S)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridi...)
Show SMILES C[C@H]1Cc2sc(cc2CN1)C#N
Show InChI InChI=1S/C9H10N2S/c1-6-2-9-7(5-11-6)3-8(4-10)12-9/h3,6,11H,2,5H2,1H3/t6-/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072985
PNG
(1-(1,2,3,4-Tetrahydro-isoquinolin-7-yl)-ethanone |...)
Show SMILES CC(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C11H13NO/c1-8(13)10-3-2-9-4-5-12-7-11(9)6-10/h2-3,6,12H,4-5,7H2,1H3
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5.00E+3n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
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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5.00E+3n/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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227514
PNG
(6-methyl-3a,4,5,6,7,7a-hexahydrothieno[3,2-c]pyrid...)
Show SMILES CC1CC2SC=CC2CN1
Show InChI InChI=1S/C8H13NS/c1-6-4-8-7(5-9-6)2-3-10-8/h2-3,6-9H,4-5H2,1H3
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5.80E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227498
PNG
((R)-6-methyl-2-nitro-4,5,6,7-tetrahydrothieno[3,2-...)
Show SMILES C[C@@H]1Cc2sc(cc2CN1)[N+]([O-])=O
Show InChI InChI=1S/C8H10N2O2S/c1-5-2-7-6(4-9-5)3-8(13-7)10(11)12/h3,5,9H,2,4H2,1H3/t5-/m1/s1
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9.60E+3n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227511
PNG
(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonit...)
Show SMILES N#Cc1cc2CNCCc2s1
Show InChI InChI=1S/C8H8N2S/c9-4-7-3-6-5-10-2-1-8(6)11-7/h3,10H,1-2,5H2
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1.50E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227504
PNG
(3-trifluoromethyl-1,2,3,4-tetrahydro-benzo[4,5]thi...)
Show SMILES FC(F)(F)C1Cc2sc3ccccc3c2CN1
Show InChI InChI=1S/C12H10F3NS/c13-12(14,15)11-5-10-8(6-16-11)7-3-1-2-4-9(7)17-10/h1-4,11,16H,5-6H2
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PubMed
1.70E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227507
PNG
(2-bromo-6-(trifluoromethyl)-4,5,6,7-tetrahydrothie...)
Show SMILES FC(F)(F)C1Cc2sc(Br)cc2CN1
Show InChI InChI=1S/C8H7BrF3NS/c9-7-1-4-3-13-6(8(10,11)12)2-5(4)14-7/h1,6,13H,2-3H2
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PubMed
2.10E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50079904
PNG
(3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline...)
Show SMILES FC(F)(F)C1Cc2ccccc2CN1
Show InChI InChI=1S/C10H10F3N/c11-10(12,13)9-5-7-3-1-2-4-8(7)6-14-9/h1-4,9,14H,5-6H2
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PubMed
2.30E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227515
PNG
(2-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |...)
Show SMILES Cc1cc2CNCCc2s1
Show InChI InChI=1S/C8H11NS/c1-6-4-7-5-9-3-2-8(7)10-6/h4,9H,2-3,5H2,1H3
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PubMed
2.50E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227516
PNG
(4,5,6,7-tetrahydrothieno[3,2-c]pyridine | CHEMBL15...)
Show SMILES C1Cc2sccc2CN1
Show InChI InChI=1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
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PubMed
3.70E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227500
PNG
(6-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydrothieno[...)
Show SMILES FC(F)(F)C1CC2SC=CC2CN1
Show InChI InChI=1S/C8H10F3NS/c9-8(10,11)7-3-6-5(4-12-7)1-2-13-6/h1-2,5-7,12H,3-4H2
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4.00E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227506
PNG
(1-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)eth...)
Show SMILES CC(=O)c1cc2CNCCc2s1
Show InChI InChI=1S/C9H11NOS/c1-6(11)9-4-7-5-10-3-2-8(7)12-9/h4,10H,2-3,5H2,1H3
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6.10E+4n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50072990
PNG
(1,2,3,4-Tetrahydro-isoquinoline-7-carboxylic acid ...)
Show SMILES NC(=O)c1ccc2CCNCc2c1
Show InChI InChI=1S/C10H12N2O/c11-10(13)8-2-1-7-3-4-12-6-9(7)5-8/h1-2,5,12H,3-4,6H2,(H2,11,13)
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PubMed
7.20E+4n/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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227510
PNG
(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxam...)
Show SMILES NC(=O)c1cc2CNCCc2s1
Show InChI InChI=1S/C8H10N2OS/c9-8(11)7-3-5-4-10-2-1-6(5)12-7/h3,10H,1-2,4H2,(H2,9,11)
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1.00E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227509
PNG
(1-THIEN-3-YLMETHANAMINE | CHEMBL252602 | thiophen-...)
Show SMILES NCc1ccsc1
Show InChI InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
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1.10E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227508
PNG
((R)-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridi...)
Show SMILES C[C@@H]1Cc2sc(cc2CN1)C#N
Show InChI InChI=1S/C9H10N2S/c1-6-2-9-7(5-11-6)3-8(4-10)12-9/h3,6,11H,2,5H2,1H3/t6-/m1/s1
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1.50E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10999
PNG
(Benzenemethanamine | CHEMBL522 | benzylamine | phe...)
Show SMILES NCc1ccccc1
Show InChI InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
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1.70E+5n/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
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM10758
PNG
(14C-phenylethylamine | 2-phenylethan-1-amine | CHE...)
Show SMILES NCCc1ccccc1
Show InChI InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
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2.20E+5n/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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227513
PNG
(2-(thiophen-2-yl)ethanamine | CHEMBL252803)
Show SMILES NCCc1cccs1
Show InChI InChI=1S/C6H9NS/c7-4-3-6-2-1-5-8-6/h1-2,5H,3-4,7H2
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3.00E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50227501
PNG
(CHEMBL237711 | thiophen-2-ylmethanamine)
Show SMILES NCc1cccs1
Show InChI InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
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4.50E+5n/an/an/an/an/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of human 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