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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 121.1
BDBM10758
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Wt: 137.1
BDBM13015
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Wt: 147.2
BDBM23981
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Wt: 137.1
BDBM29135
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Wt: 116.2
BDBM36187
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Wt: 141.2
BDBM81456
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Wt: 149.2
BDBM86195
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Wt: 117.1
BDBM86198
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Wt: 135.1
BDBM86202
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Wt: 121.1
BDBM86203
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Wt: 117.1
BDBM86205
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Wt: 135.2
BDBM50005246
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Wt: 133.1
BDBM50236898
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Wt: 133.1
BDBM50240772
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Wt: 149.2
BDBM50246598
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Displayed 1 to 15 (of 2043 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 482 hits in this display   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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7.10n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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24.8n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse

Curated by PDSP Ki Database




J Pharmacol Exp Ther 307: 138-45 (2003)


Article DOI: 10.1124/jpet.103.053975
BindingDB Entry DOI: 10.7270/Q28W3BVJ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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26n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)


Article DOI: 10.1016/j.bmc.2014.12.063
BindingDB Entry DOI: 10.7270/Q2J38V8K
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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34n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
TRAR1


(Homo sapiens)
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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34n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 98: 8966-71 (2001)


Article DOI: 10.1073/pnas.151105198
BindingDB Entry DOI: 10.7270/Q2G15ZD5
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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38.9n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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58n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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59n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
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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72.5n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
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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106n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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116n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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130n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Mixed inhibition of CYP2A6 (unknown origin)


Drug Metab Dispos 40: 1797-802 (2012)


Article DOI: 10.1124/dmd.112.045161
BindingDB Entry DOI: 10.7270/Q2BK1F3P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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140n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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190n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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244n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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400n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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940n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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992n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Norepinephrine transporter


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1097-102 (2002)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2ZW1JH0
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



Harvard University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 301: 1097-102 (2002)


Article DOI: 10.1016/j.bioorg.2016.03.001
BindingDB Entry DOI: 10.7270/Q2ZW1JH0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM13015
PNG
(2-amino-1-phenylethan-1-ol | phenylethanolamine)
Show SMILES NCC(O)c1ccccc1
Show InChI InChI=1S/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
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1.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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1.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
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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1.56E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50246598
PNG
(2-methyl-1-phenylpropan-2-amine | CHEMBL1574 | PHE...)
Show SMILES CC(C)(N)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
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1.58E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
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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2.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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2.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
adrenergic Alpha2


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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2.41E+3n/an/an/an/an/an/an/an/a



University of California

Curated by PDSP Ki Database




J Pharmacol Exp Ther 241: 1092-8 (1987)


BindingDB Entry DOI: 10.7270/Q2F18X7B
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM81456
PNG
(CAS_7608 | Cyclopentamine | NSC_7608)
Show SMILES CNC(C)CC1CCCC1
Show InChI InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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2.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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2.90E+3n/an/an/an/an/an/an/an/a



Novo Industri A/S

Curated by PDSP Ki Database




Eur J Pharmacol 166: 493-504 (1989)


BindingDB Entry DOI: 10.7270/Q28C9TR3
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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3.83E+3n/an/an/an/an/an/an/an/a



NIH

Curated by PDSP Ki Database




Synapse 39: 32-41 (2001)


Article DOI: 10.1002/1098-2396(20010101)39:1
BindingDB Entry DOI: 10.7270/Q2NV9GT3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
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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5.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Cytochrome P450 2A13


(Homo sapiens (Human))
BDBM50240772
PNG
((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...)
Show SMILES N[C@@H]1C[C@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of CYP2A13 (unknown origin)


Drug Metab Dispos 40: 1797-802 (2012)


Article DOI: 10.1124/dmd.112.045161
BindingDB Entry DOI: 10.7270/Q2BK1F3P
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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6.61E+3n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
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
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50236898
PNG
((1S,2R)-(+)-2-phenylcyclopropylamine | CHEMBL25799...)
Show SMILES N[C@H]1C[C@@H]1c1ccccc1
Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM36187
PNG
(1-methylhexylamine | Tuaminoheptane)
Show SMILES CCCCCC(C)[NH3+]
Show InChI InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3/p+1
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7.10E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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7.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 1 receptor of rat prefrontal cortex


J Med Chem 29: 194-9 (1986)


Article DOI: 10.1021/jm00152a005
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(RAT-Rattus norvegicus (rat)-Rattus norvegicus (Rat...)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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7.66E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for binding affinity towards rat cortical membranes at 5-hydroxytryptamine 1 receptor binding site by using [3H]-5-HT as a radioligand.


J Med Chem 30: 1-12 (1987)


Article DOI: 10.1021/jm00384a001
BindingDB Entry DOI: 10.7270/Q29K4BS7
More data for this
Ligand-Target Pair
OPIATE Sigma


(RAT)
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 81: 4983-7 (1984)


BindingDB Entry DOI: 10.7270/Q2JM284N
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor and beta-3 adrenergic receptor


(Homo sapiens (Human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 568-80 (1976)


BindingDB Entry DOI: 10.7270/Q2ZK5F5P
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Mol Pharmacol 45: 125-35 (1994)


BindingDB Entry DOI: 10.7270/Q2NG4P5C
More data for this
Ligand-Target Pair
5-HT3A Serotonin Receptor


(Mus musculus (house mouse))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50005246
PNG
(1-Phenylpropan-2-amin | 1-phenyl-2-aminopropane | ...)
Show SMILES CC(N)Cc1ccccc1
Show InChI InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



SRI International

Curated by PDSP Ki Database




NIDA Res Monogr 178: 440-66 (1998)


BindingDB Entry DOI: 10.7270/Q23J3BH2
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 482 total )  |  Next  |  Last  >>

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this search
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kJ/mole
-TΔS°
kJ/mole
ΔH°
kJ/mole
log KpHTemp
°C
BDBM4
JPEG
BDBM36187
JPEG
CHEBI
MMDB
PC cid
PC sid
PDB
PC cid
PC sid
-15.12.83-17.92.646.9025



NIST





J Phys Chem B 101: 87-100 (1997)

BDBM11
JPEG
BDBM36187
JPEG
CHEBI
KEGG
MMDB
PC cid
PC sid
PC cid
PC sid
-10.7-12.71.961.886.9025



NIST





J Phys Chem B 101: 87-100 (1997)