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Compile Data Set for Download or QSAR

Found 741 hits Enz. Inhib. hit(s) with Target = 'Phenylethanolamine N-methyltransferase'   
Target
(Institution)
LigandTarget
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
PDB
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n/an/a 3n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PNMT


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB
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n/an/a 10n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50240934
PNG
(3-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)-1,2,3,...)
Show SMILES OCC1Cc2ccc(cc2CN1)S(=O)(=O)NCCC(F)(F)F
Show InChI InChI=1S/C13H17F3N2O3S/c14-13(15,16)3-4-18-22(20,21)12-2-1-9-5-11(8-19)17-7-10(9)6-12/h1-2,6,11,17-19H,3-5,7-8H2
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n/an/a 28n/an/an/an/an/an/a



Astex Therapeutics Ltd.

Curated by ChEMBL


Assay Description
Inhibition of PNMT


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028902
PNG
(7,8-dichloro-2-[2-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C20H20Cl4N2/c21-17-3-1-13-5-7-25(11-15(13)19(17)23)9-10-26-8-6-14-2-4-18(22)20(24)16(14)12-26/h1-4H,5-12H2
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n/an/a 80n/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)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028908
PNG
(7,8-dichloro-2-[4-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C22H24Cl4N2/c23-19-5-3-15-7-11-27(13-17(15)21(19)25)9-1-2-10-28-12-8-16-4-6-20(24)22(26)18(16)14-28/h3-6H,1-2,7-14H2
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n/an/a 100n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029108
PNG
(6,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc2CCNCc2c(Cl)c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-5-1-2-13-4-6(5)8(11)9(7)12/h3,13H,1-2,4H2
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029101
PNG
(5,6,7,8-Tetrachloro-1,2,3,4-tetrahydro-isoquinolin...)
Show SMILES Clc1c(Cl)c(Cl)c2CNCCc2c1Cl
Show InChI InChI=1S/C9H7Cl4N/c10-6-4-1-2-14-3-5(4)7(11)9(13)8(6)12/h14H,1-3H2
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029102
PNG
(7-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029107
PNG
(8-Chloro-1,2,3,4-tetrahydro-isoquinoline | CHEMBL1...)
Show SMILES Clc1cccc2CCNCc12
Show InChI InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
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n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029099
PNG
(5,7,8-Trichloro-1,2,3,4-tetrahydro-isoquinoline | ...)
Show SMILES Clc1cc(Cl)c2CCNCc2c1Cl
Show InChI InChI=1S/C9H8Cl3N/c10-7-3-8(11)9(12)6-4-13-2-1-5(6)7/h3,13H,1-2,4H2
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Dissociation constant(Ki) of compound was determined to measure Phenylethanolamine N-methyltransferase inhibitory potency


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028903
PNG
(7,8-dichloro-2-[3-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C21H22Cl4N2/c22-18-4-2-14-6-10-26(12-16(14)20(18)24)8-1-9-27-11-7-15-3-5-19(23)21(25)17(15)13-27/h2-5H,1,6-13H2
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n/an/a 300n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029106
PNG
(2,3-Dichloro-benzylamine | CHEMBL13165)
Show SMILES NCc1cccc(Cl)c1Cl
Show InChI InChI=1S/C7H7Cl2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2
PDB
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n/an/a 600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028910
PNG
(7,8-dichloro-2-[6-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C24H28Cl4N2/c25-21-7-5-17-9-13-29(15-19(17)23(21)27)11-3-1-2-4-12-30-14-10-18-6-8-22(26)24(28)20(18)16-30/h5-8H,1-4,9-16H2
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n/an/a 1.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028901
PNG
(7,8-Dichloro-2-ethyl-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES CCN1CCc2ccc(Cl)c(Cl)c2C1
Show InChI InChI=1S/C11H13Cl2N/c1-2-14-6-5-8-3-4-10(12)11(13)9(8)7-14/h3-4H,2,5-7H2,1H3
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028909
PNG
(2-(7,8-Dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-e...)
Show SMILES NCCN1CCc2ccc(Cl)c(Cl)c2C1
Show InChI InChI=1S/C11H14Cl2N2/c12-10-2-1-8-3-5-15(6-4-14)7-9(8)11(10)13/h1-2H,3-7,14H2
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028911
PNG
(7,8-dichloro-2-[8-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C26H32Cl4N2/c27-23-9-7-19-11-15-31(17-21(19)25(23)29)13-5-3-1-2-4-6-14-32-16-12-20-8-10-24(28)26(30)22(20)18-32/h7-10H,1-6,11-18H2
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
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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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028913
PNG
(7,8-Dichloro-2-propyl-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES CCCN1CCc2ccc(Cl)c(Cl)c2C1
Show InChI InChI=1S/C12H15Cl2N/c1-2-6-15-7-5-9-3-4-11(13)12(14)10(9)8-15/h3-4H,2,5-8H2,1H3
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n/an/a 5.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028801
PNG
(CHEMBL18486 | Cyclononanecarbaldehyde)
Show SMILES O=CC1CCCCCCCC1
Show InChI InChI=1S/C10H18O/c11-9-10-7-5-3-1-2-4-6-8-10/h9-10H,1-8H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028814
PNG
(2-Amino-1-cyclononyl-ethanol | CHEMBL278978)
Show SMILES NCC(O)C1CCCCCCCC1
Show InChI InChI=1S/C11H23NO/c12-9-11(13)10-7-5-3-1-2-4-6-8-10/h10-11,13H,1-9,12H2
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028808
PNG
(CHEMBL18718 | Cyclononyl-trimethylsilanyloxy-aceto...)
Show SMILES C[Si](C)(C)OC(C#N)C1CCCCCCCC1
Show InChI InChI=1S/C14H27NOSi/c1-17(2,3)16-14(12-15)13-10-8-6-4-5-7-9-11-13/h13-14H,4-11H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028912
PNG
(2-Benzyl-7,8-dichloro-1,2,3,4-tetrahydro-isoquinol...)
Show SMILES Clc1ccc2CCN(Cc3ccccc3)Cc2c1Cl
Show InChI InChI=1S/C16H15Cl2N/c17-15-7-6-13-8-9-19(11-14(13)16(15)18)10-12-4-2-1-3-5-12/h1-7H,8-11H2
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n/an/a 7.00E+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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028783
PNG
(2-Amino-1-cyclooctyl-ethanol | CHEMBL1204148 | CHE...)
Show SMILES NCC(O)C1CCCCCCC1
Show InChI InChI=1S/C10H21NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h9-10,12H,1-8,11H2
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028809
PNG
(1-Trimethylsilanyloxy-cycloundecanecarbonitrile | ...)
Show SMILES C[Si](C)(C)OC1(CCCCCCCCCC1)C#N
Show InChI InChI=1S/C15H29NOSi/c1-18(2,3)17-15(14-16)12-10-8-6-4-5-7-9-11-13-15/h4-13H2,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028651
PNG
(1-Aminomethyl-cycloundecanol | CHEMBL18707)
Show SMILES NCC1(O)CCCCCCCCCC1
Show InChI InChI=1S/C12H25NO/c13-11-12(14)9-7-5-3-1-2-4-6-8-10-12/h14H,1-11,13H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028805
PNG
(2-Amino-1-cycloheptyl-ethanol | CHEMBL280477)
Show SMILES NCC(O)C1CCCCCC1
Show InChI InChI=1S/C9H19NO/c10-7-9(11)8-5-3-1-2-4-6-8/h8-9,11H,1-7,10H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028812
PNG
(Aldehydes, 6 | CHEMBL277996 | Cycloheptanecarbalde...)
Show SMILES O=CC1CCCCCC1
Show InChI InChI=1S/C8H14O/c9-7-8-5-3-1-2-4-6-8/h7-8H,1-6H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028802
PNG
(CHEMBL275870 | Cycloheptyl-trimethylsilanyloxy-ace...)
Show SMILES C[Si](C)(C)OC(C#N)C1CCCCCC1
Show InChI InChI=1S/C12H23NOSi/c1-15(2,3)14-12(10-13)11-8-6-4-5-7-9-11/h11-12H,4-9H2,1-3H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028783
PNG
(2-Amino-1-cyclooctyl-ethanol | CHEMBL1204148 | CHE...)
Show SMILES NCC(O)C1CCCCCCC1
Show InChI InChI=1S/C10H21NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h9-10,12H,1-8,11H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase


J Med Chem 24: 12-6 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028794
PNG
(2-Amino-1-cycloundecyl-ethanol | CHEMBL19170)
Show SMILES NCC(O)C1CCCCCCCCCC1
Show InChI InChI=1S/C13H27NO/c14-11-13(15)12-9-7-5-3-1-2-4-6-8-10-12/h12-13,15H,1-11,14H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028846
PNG
(CHEMBL279363 | Cycloundecanecarbaldehyde)
Show SMILES O=CC1CCCCCCCCCC1
Show InChI InChI=1S/C12H22O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM12584
PNG
((3-chlorophenyl)methanamine | 1-(3-CHLOROPHENYL)ME...)
Show SMILES NCc1cccc(Cl)c1
Show InChI InChI=1S/C7H8ClN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028835
PNG
(CHEMBL18302 | Cycloundecyl-trimethylsilanyloxy-ace...)
Show SMILES C[Si](C)(C)OC(C#N)C1CCCCCCCCCC1
Show InChI InChI=1S/C16H31NOSi/c1-19(2,3)18-16(14-17)15-12-10-8-6-4-5-7-9-11-13-15/h15-16H,4-13H2,1-3H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
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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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


J Med Chem 24: 756-9 (1981)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028906
PNG
(7,8-dichloro-2-[5-(7,8-dichloro-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCCN3CCc4ccc(Cl)c(Cl)c4C3)Cc2c1Cl
Show InChI InChI=1S/C23H26Cl4N2/c24-20-6-4-16-8-12-28(14-18(16)22(20)26)10-2-1-3-11-29-13-9-17-5-7-21(25)23(27)19(17)15-29/h4-7H,1-3,8-15H2
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n/an/a 1.00E+4n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028785
PNG
(2-Amino-1-cyclohexyl-ethanol | CHEMBL1204147 | CHE...)
Show SMILES NCC(O)C1CCCCC1
Show InChI InChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was measured for the 50% inhibition of phenylethanolamine N-methyl-transferase


J Med Chem 24: 12-6 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028785
PNG
(2-Amino-1-cyclohexyl-ethanol | CHEMBL1204147 | CHE...)
Show SMILES NCC(O)C1CCCCC1
Show InChI InChI=1S/C8H17NO/c9-6-8(10)7-4-2-1-3-5-7/h7-8,10H,1-6,9H2
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n/an/a 1.40E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028851
PNG
(CHEMBL276087 | Cyclononanone)
Show SMILES O=C1CCCCCCCC1
Show InChI InChI=1S/C9H16O/c10-9-7-5-3-1-2-4-6-8-9/h1-8H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028838
PNG
(1-Trimethylsilanyloxy-cyclononanecarbonitrile | CH...)
Show SMILES C[Si](C)(C)OC1(CCCCCCCC1)C#N
Show InChI InChI=1S/C13H25NOSi/c1-16(2,3)15-13(12-14)10-8-6-4-5-7-9-11-13/h4-11H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028800
PNG
(1-Aminomethyl-cyclononanol | CHEMBL278410)
Show SMILES NCC1(O)CCCCCCCC1
Show InChI InChI=1S/C10H21NO/c11-9-10(12)7-5-3-1-2-4-6-8-10/h12H,1-9,11H2
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n/an/a 1.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029104
PNG
(2-Chloro-benzylamine | CHEMBL12712)
Show SMILES NCc1ccccc1Cl
Show InChI InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Invitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029105
PNG
(2-(3,4,-dichlorophenyl)ethylamine | 2-(3,4-Dichlor...)
Show SMILES NCCc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C8H9Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3-4,11H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028836
PNG
(2-Amino-1-cyclooct-1-enyl-ethanol | CHEMBL18481)
Show SMILES NCC(O)C1=C/CCCCCC\1
Show InChI InChI=1S/C10H19NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h6,10,12H,1-5,7-8,11H2/b9-6+
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n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50028905
PNG
(7,8-Dichloro-2-(6-phenyl-hexyl)-1,2,3,4-tetrahydro...)
Show SMILES Clc1ccc2CCN(CCCCCCc3ccccc3)Cc2c1Cl
Show InChI InChI=1S/C21H25Cl2N/c22-20-12-11-18-13-15-24(16-19(18)21(20)23)14-7-2-1-4-8-17-9-5-3-6-10-17/h3,5-6,9-12H,1-2,4,7-8,13-16H2
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n/an/a 5.00E+4n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028828
PNG
(2-Amino-1-cyclohex-3-enyl-ethanol | CHEMBL18594)
Show SMILES NCC(O)C1CCC=CC1
Show InChI InChI=1S/C8H15NO/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-8,10H,3-6,9H2
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n/an/a 5.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028816
PNG
(2-Amino-1-cycloocta-1,7-dienyl-ethanol | CHEMBL278...)
Show SMILES NCC(O)/C1=C/CCCC/C=C\1
Show InChI InChI=1S/C10H17NO/c11-8-10(12)9-6-4-2-1-3-5-7-9/h4,6-7,10,12H,1-3,5,8,11H2/b6-4-,9-7+
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Homo sapiens (human))
BDBM50029103
PNG
(2-(3-Chloro-phenyl)-1-methyl-ethylamine | CHEMBL14...)
Show SMILES CC(N)Cc1cccc(Cl)c1
Show InChI InChI=1S/C9H12ClN/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6-7H,5,11H2,1H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory potency of the compound was measured against phenylethanolamine N-methyltransferase


J Med Chem 23: 506-11 (1980)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028798
PNG
(1-Trimethylsilanyloxy-cyclooctanecarbonitrile | CH...)
Show SMILES C[Si](C)(C)OC1(CCCCCCC1)C#N
Show InChI InChI=1S/C12H23NOSi/c1-15(2,3)14-12(11-13)9-7-5-4-6-8-10-12/h4-10H2,1-3H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50028793
PNG
(CHEMBL18737 | Cyclooctanone)
Show SMILES O=C1CCCCCCC1
Show InChI InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
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n/an/a 7.20E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against phenylethanolamine N-methyltransferase


J Med Chem 24: 7-12 (1981)

More data for this
Ligand-Target Pair
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