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BDBM29135 CHEMBL11608::cid_5610::p-Tyramine::tyramine

InChI string: InChI=1S/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2

SMILES: NCCc1ccc(O)cc1

InChI Key: InChIKey=DZGWFCGJZKJUFP-UHFFFAOYSA-N

Data: 11 KI  2 IC50  2 Kd  4 EC50

PDB links: 3 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 29135   
Target
(Institution)
LigandTarget
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
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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PubMed
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)

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)

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)

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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) 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)

More data for this
Ligand-Target Pair
Serotonin (5-HT) 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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>1.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
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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>1.70E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
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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>3.50E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
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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PubMed
1.60E+5n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D2


J Med Chem 41: 4385-99 (1998)

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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PubMed
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)

More data for this
Ligand-Target Pair
Dopamine D1 and D2 receptor


(Homo sapiens (Human))
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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3.90E+5n/an/an/an/an/an/an/an/a



University of Texas at Austin

Curated by ChEMBL


Assay Description
Affinity towards Dopamine receptor D1


J Med Chem 41: 4385-99 (1998)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(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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n/an/an/an/a 178n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
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
PDB

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n/an/an/an/a 2.60E+4n/an/an/an/a



Howard Hughes Medical Institute

Curated by ChEMBL


Assay Description
Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calcium by calcium imaging assay


Nature 450: 553-556 (2007)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
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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n/an/an/a 2.00E+6n/an/an/an/an/a



F. Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Binding affinity to BACE1 by surface plasmon resonance method


Bioorg Med Chem Lett 18: 1304-7 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serotonin receptor 2a and 2b (5HT2A and 5HT2B)


(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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n/an/an/a 7.94E+3n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Antagonistic activity of corresponding methoxy compound against serotonin 5-HT receptor


J Med Chem 23: 990-4 (1980)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(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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PCBioAssay
n/an/a 882n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
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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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
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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n/an/an/an/a>2.99E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(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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n/an/an/an/a 731n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA16 CHO-K1 cells coexpressed with Galpha16 protein assessed as internal...


Bioorg Med Chem 16: 7415-23 (2008)

More data for this
Ligand-Target Pair