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Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50035788   
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))
BDBM50020493
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol | CHEMB...)
Show SMILES NC1CCc2cc(O)ccc2C1
Show InChI InChI=1S/C10H13NO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h2,4,6,9,12H,1,3,5,11H2
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4.70E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM23981
PNG
((2S)-1,2,3,4-Tetrahydro-naphthalen-2-ylamine | 1,2...)
Show SMILES NC1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2
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6.80E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020511
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalen-1-ol | CHEMB...)
Show SMILES NC1CCc2c(O)cccc2C1
Show InChI InChI=1S/C10H13NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h1-3,8,12H,4-6,11H2
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2.10E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020512
PNG
(6-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CC(N)CCc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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3.40E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020495
PNG
(7-Amino-5,6,7,8-tetrahydro-naphthalen-1-ol | CHEMB...)
Show SMILES NC1CCc2cccc(O)c2C1
Show InChI InChI=1S/C10H13NO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h1-3,8,12H,4-6,11H2
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3.90E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020503
PNG
(7-Amino-5,6,7,8-tetrahydro-naphthalen-2-ol | CHEMB...)
Show SMILES NC1CCc2ccc(O)cc2C1
Show InChI InChI=1S/C10H13NO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h2,4,6,9,12H,1,3,5,11H2
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7.60E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020490
PNG
(8-Amino-6,7,8,9-tetrahydro-5H-5,8-methano-benzocyc...)
Show SMILES NC12CCC(C1)c1cc(O)ccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
Show InChI InChI=1S/C12H15NO/c13-12-4-3-9(7-12)11-5-10(14)2-1-8(11)6-12/h1-2,5,9,14H,3-4,6-7,13H2
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1.11E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50016733
PNG
(8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1cccc2CCC(N)Cc12
Show InChI InChI=1S/C11H15NO/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4,9H,5-7,12H2,1H3
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1.44E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020498
PNG
(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1cccc2CC(N)CCc12
Show InChI InChI=1S/C11H15NO/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11/h2-4,9H,5-7,12H2,1H3
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1.57E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020504
PNG
(5,6,7,9-Tetrahydro-5,8-methano-benzocyclohepten-8-...)
Show SMILES NC12CCC(C1)c1ccccc1C2 |TLB:7:6:5:3.2,THB:10:11:5:3.2|
Show InChI InChI=1S/C12H15N/c13-12-6-5-10(8-12)11-4-2-1-3-9(11)7-12/h1-4,10H,5-8,13H2
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2.06E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020509
PNG
(7-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine ...)
Show SMILES COc1ccc2CCC(N)Cc2c1
Show InChI InChI=1S/C11H15NO/c1-13-11-5-3-8-2-4-10(12)6-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
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2.28E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM29135
PNG
(CHEMBL11608 | cid_5610 | p-Tyramine | tyramine)
Show SMILES NCCc1ccc(O)cc1
Show InChI InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
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2.94E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
The compound was tested for In vitro inhibitory activity against Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020510
PNG
(2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...)
Show SMILES NC1CC2CC1c1ccc(O)cc21 |TLB:7:6:4:1.2,THB:11:12:4:1.2,0:1:6.12:4|
Show InChI InChI=1S/C11H13NO/c12-11-4-6-3-10(11)8-2-1-7(13)5-9(6)8/h1-2,5-6,10-11,13H,3-4,12H2
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3.04E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020508
PNG
(3-Methoxy-5,6,7,9-tetrahydro-5,8-methano-benzocycl...)
Show SMILES COc1ccc2CC3(N)CCC(C3)c2c1 |TLB:14:13:12:10.9,THB:4:5:12:10.9|
Show InChI InChI=1S/C13H17NO/c1-15-11-3-2-9-7-13(14)5-4-10(8-13)12(9)6-11/h2-3,6,10H,4-5,7-8,14H2,1H3
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3.89E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020491
PNG
(1,2,3,4-Tetrahydro-1,4-methano-naphthalen-2-ylamin...)
Show SMILES NC1CC2CC1c1ccccc21 |TLB:0:1:6.11:4,THB:10:11:4:1.2|
Show InChI InChI=1S/C11H13N/c12-11-6-7-5-10(11)9-4-2-1-3-8(7)9/h1-4,7,10-11H,5-6,12H2
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4.79E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
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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8.54E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50367284
PNG
(CHEMBL291584)
Show SMILES N[C@@H]1CC2CC1c1cc(O)ccc21 |TLB:0:1:6.12:4,THB:11:12:4:1.2,7:6:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-11-4-6-3-10(11)9-5-7(13)1-2-8(6)9/h1-2,5-6,10-11,13H,3-4,12H2/t6?,10?,11-/m1/s1
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1.11E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020502
PNG
(2-(3-Hydroxy-phenyl)-ethyl-ammonium | 2-(3-hydroxy...)
Show SMILES NCCc1cccc(O)c1
Show InChI InChI=1S/C8H11NO/c9-5-4-7-2-1-3-8(10)6-7/h1-3,6,10H,4-5,9H2
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1.25E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
The compound was tested for In vitro inhibitory activity against Phenylethanolamine N-Methyltransferase (PNMT)


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50367450
PNG
(CHEMBL71308)
Show SMILES COc1ccc2C3CC(C[C@H]3N)c2c1 |TLB:4:5:7:10.9,13:12:7:10.9,11:10:5.12:7|
Show InChI InChI=1S/C12H15NO/c1-14-8-2-3-9-10(6-8)7-4-11(9)12(13)5-7/h2-3,6-7,11-12H,4-5,13H2,1H3/t7?,11?,12-/m1/s1
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1.26E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020513
PNG
(8-Amino-6,7,8,9-tetrahydro-5H-5,8-methano-benzocyc...)
Show SMILES NC12CCC(C1)c1ccc(O)cc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
Show InChI InChI=1S/C12H15NO/c13-12-4-3-8(6-12)11-2-1-10(14)5-9(11)7-12/h1-2,5,8,14H,3-4,6-7,13H2
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1.27E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020489
PNG
(2-Methoxy-5,6,7,9-tetrahydro-5,8-methano-benzocycl...)
Show SMILES COc1ccc2C3CCC(N)(C3)Cc2c1 |TLB:4:5:11:7.8,THB:14:13:11:7.8|
Show InChI InChI=1S/C13H17NO/c1-15-11-2-3-12-9-4-5-13(14,7-9)8-10(12)6-11/h2-3,6,9H,4-5,7-8,14H2,1H3
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1.41E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020492
PNG
(8-Methoxy-1,2,3,4-tetrahydro-1,4-methano-naphthale...)
Show SMILES COc1cccc2C3CC(N)C(C3)c12 |TLB:2:13:12:9.8,THB:10:9:12:13.6,5:6:12:9.8|
Show InChI InChI=1S/C12H15NO/c1-14-11-4-2-3-8-7-5-9(12(8)11)10(13)6-7/h2-4,7,9-10H,5-6,13H2,1H3
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020500
PNG
(5-Methoxy-1,2,3,4-tetrahydro-1,4-methano-naphthale...)
Show SMILES COc1cccc2C3CC(CC3N)c12 |TLB:2:13:8:11.10,THB:12:11:6.13:8,5:6:8:11.10|
Show InChI InChI=1S/C12H15NO/c1-14-11-4-2-3-8-9-5-7(12(8)11)6-10(9)13/h2-4,7,9-10H,5-6,13H2,1H3
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020496
PNG
(7-Methoxy-1,2,3,4-tetrahydro-1,4-methano-naphthale...)
Show SMILES COc1ccc2C3CC(N)C(C3)c2c1 |TLB:13:12:11:8.7,THB:4:5:11:8.7,9:8:12.5:11|
Show InChI InChI=1S/C12H15NO/c1-14-8-2-3-9-7-4-11(10(9)6-8)12(13)5-7/h2-3,6-7,11-12H,4-5,13H2,1H3
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>2.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50367283
PNG
(CHEMBL292281)
Show SMILES N[C@@H]1CC2CC1c1c2cccc1O |TLB:0:1:4:6.7,THB:11:6:4:1.2,8:7:4:1.2|
Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)11-7(6)2-1-3-10(11)13/h1-3,6,8-9,13H,4-5,12H2/t6?,8?,9-/m1/s1
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>3.00E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020506
PNG
(8-Amino-6,7,8,9-tetrahydro-5H-5,8-methano-benzocyc...)
Show SMILES NC12CCC(C1)c1c(O)cccc1C2 |TLB:7:6:5:3.2,THB:11:12:5:3.2|
Show InChI InChI=1S/C12H15NO/c13-12-5-4-9(7-12)11-8(6-12)2-1-3-10(11)14/h1-3,9,14H,4-7,13H2
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3.47E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020507
PNG
(4-Methoxy-5,6,7,9-tetrahydro-5,8-methano-benzocycl...)
Show SMILES COc1cccc2CC3(N)CCC(C3)c12 |TLB:2:14:13:11.10,THB:5:6:13:11.10|
Show InChI InChI=1S/C13H17NO/c1-15-11-4-2-3-9-7-13(14)6-5-10(8-13)12(9)11/h2-4,10H,5-8,14H2,1H3
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8.42E+6n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50020497
PNG
(2-Amino-1,2,3,4-tetrahydro-1,4-methano-naphthalen-...)
Show SMILES NC1CC2CC1c1cccc(O)c21 |TLB:7:6:4:1.2,THB:10:12:4:1.2,0:1:6.12:4|
Show InChI InChI=1S/C11H13NO/c12-9-5-6-4-8(9)7-2-1-3-10(13)11(6)7/h1-3,6,8-9,13H,4-5,12H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


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


J Med Chem 32: 478-86 (1989)


BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair