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4 similar compounds to monomer 82568

Compile data set for download or QSAR
Wt: 147.2
BDBM23981
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Wt: 175.2
BDBM82567
Wt: 147.2
BDBM50405614
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Wt: 147.2
BDBM50405616
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 23981,82567,50405614,50405616   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM82567
PNG
(ADTN DIMETHYL 6,7)
Show SMILES Cc1ccc2CCC(N)Cc2c1C
Show InChI InChI=1S/C12H17N/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h3-4,11H,5-7,13H2,1-2H3
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1.5n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM82567
PNG
(ADTN DIMETHYL 6,7)
Show SMILES Cc1ccc2CCC(N)Cc2c1C
Show InChI InChI=1S/C12H17N/c1-8-3-4-10-5-6-11(13)7-12(10)9(8)2/h3-4,11H,5-7,13H2,1-2H3
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20n/an/an/an/an/an/an/an/a



Neuroscience Research Centre

Curated by PDSP Ki Database




J Pharmacol Exp Ther 268: 417-26 (1994)


Article DOI: 10.1016/j.bioorg.2015.06.003
BindingDB Entry DOI: 10.7270/Q2C827SR
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50405614
PNG
(CHEMBL1178569)
Show SMILES N[C@H]1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2/t10-/m0/s1
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4.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 1984-6 (1988)


Article DOI: 10.1021/jm00118a021
BindingDB Entry DOI: 10.7270/Q2QF8TFD
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)


Article DOI: 10.1021/jm00122a032
BindingDB Entry DOI: 10.7270/Q2P55P32
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50405616
PNG
(CHEMBL2114376)
Show SMILES N[C@@H]1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7,11H2/t10-/m1/s1
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1.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound towards bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 1984-6 (1988)


Article DOI: 10.1021/jm00118a021
BindingDB Entry DOI: 10.7270/Q2QF8TFD
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
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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1.11E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortical membrane homogenates


J Med Chem 29: 2375-80 (1986)


Article DOI: 10.1021/jm00161a038
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Binding affinity of the compound to phenylethanolamine N-methyltransferase(PNMT) in bovine


J Med Chem 31: 169-71 (1988)


Article DOI: 10.1021/jm00396a026
BindingDB Entry DOI: 10.7270/Q23J3BZW
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Phenylethylamine N-Methyltransferase (PNMT) using radiochemical assay


J Med Chem 30: 2191-208 (1988)


Article DOI: 10.1021/jm00395a005
BindingDB Entry DOI: 10.7270/Q2H41S10
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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1.50E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 31: 433-44 (1988)


Article DOI: 10.1021/jm00397a029
BindingDB Entry DOI: 10.7270/Q2NG4R6N
More data for this
Ligand-Target Pair
Urokinase-type plasminogen activator


(Homo sapiens (Human))
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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3.98E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of urokinase


J Med Chem 52: 3159-65 (2009)


Article DOI: 10.1021/jm801444x
BindingDB Entry DOI: 10.7270/Q2FF3TM8
More data for this
Ligand-Target Pair
Aminopeptidase N


(Sus scrofa (Pig))
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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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Cytosol aminopeptidase


(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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n/an/a>1.00E+6n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(RAT)
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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n/an/an/a 2.45E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The binding affinity to 5-hydroxytryptamine 2B receptor of rat fundus


J Med Chem 25: 68-70 (1982)


Article DOI: 10.1021/jm00343a013
BindingDB Entry DOI: 10.7270/Q2902507
More data for this
Ligand-Target Pair
Bacterial leucyl aminopeptidase


(Vibrio proteolyticus)
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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n/an/a>1.00E+6n/an/an/an/a8.030



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
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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n/an/an/an/a>3.00E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Alpha-1 adrenergic receptor agonist activity in rabbit ear artery


J Med Chem 24: 1432-7 (1982)


Article DOI: 10.1021/jm00144a012
BindingDB Entry DOI: 10.7270/Q2XW4KB0
More data for this
Ligand-Target Pair
Leukotriene A4 hydrolase


(Homo sapiens (Human))
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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n/an/a>1.00E+6n/an/an/an/an/an/a



ENSCMu



Assay Description
Spectrophotometric assays were performed by monitoring hydrolysis of chromogenic substrate. The release of para-nitroaniline at 405 nm was measured t...


Bioorg Med Chem 14: 7241-57 (2006)


Article DOI: 10.1016/j.bmc.2006.06.050
BindingDB Entry DOI: 10.7270/Q2N29V73
More data for this
Ligand-Target Pair