BindingDB BDBM55121 3-HYDROXYTYRAMINE HYDROCHLORIDE::4-(2-aminoethyl)benzene-1,2-diol;hydrochloride::4-(2-aminoethyl)pyrocatechol;hydrochloride::4-(2-azanylethyl)benzene-1,2-diol;hydrochloride::Dopamine::MLS000069419::SMR000059081::cid

BDBM55121 3-HYDROXYTYRAMINE HYDROCHLORIDE::4-(2-aminoethyl)benzene-1,2-diol;hydrochloride::4-(2-aminoethyl)pyrocatechol;hydrochloride::4-(2-azanylethyl)benzene-1,2-diol;hydrochloride::Dopamine::MLS000069419::SMR000059081::cid_65340

SMILES NCCc1ccc(O)c(O)c1

InChI Key InChIKey=VYFYYTLLBUKUHU-UHFFFAOYSA-N

Data 216 KI 51 IC50 7 Kd 101 EC50

PDB links: 27 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 55121

D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 0.780nMAssay Description:Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged GalphaoB ...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

PDB Reactome pathway KEGG
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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 163nMAssay Description:Concentration required for the inhibitory activity against human FarnesyltransferaseMore data for this Ligand-Target Pair

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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 156nMAssay Description:Agonist activity at ARMS2-PK2 tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of EA-tagged beta-arrestin-2 recru...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 4.5nMAssay Description:Binding affinity towards rat Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 3.90nMAssay Description:Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells coexpressing renilla luciferase 2-tagged Galphai2 ...More data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 226nMAssay Description:Agonist activity at N-terminal flag-tagged D2S receptor (unknown origin) expressed in HEK293 cells assessed as induction of renilla luciferase 2-tagg...More data for this Ligand-Target Pair

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D(2) dopamine receptor(Homo sapiens (Human))
Friedrich-Alexander University Erlangen-N£Rnberg

Curated by ChEMBL

BDBM55121(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)

EC50: 2.80nMAssay Description:Ability to displace [3H]spiperone radioligand from cloned human Dopamine receptor D2 in CHO cellsMore data for this Ligand-Target Pair

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Filter my 375 hits

Targets 45▿
- D(2) dopamine receptor 154
- D(3) dopamine receptor 53
- D(1A) dopamine receptor 46
- D(4) dopamine receptor 22
- Sodium-dependent dopamine transporter 11
- D(1A)/D(2) dopamine receptor 7
- 5-hydroxytryptamine receptor 7 7
- 5-hydroxytryptamine receptor 1A 6
- Sodium-dependent serotonin transporter 4
- Sodium-dependent noradrenaline transporter 4
- D(1B) dopamine receptor 4
- D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor 4
- Beta-2 adrenergic receptor 4
- 5-hydroxytryptamine receptor 5B 3
- 5-hydroxytryptamine receptor 5A 3
- Norepinephrine transporter 3
- Bile salt export pump 3
- Solute carrier family 22 member 2 2
- Alpha-2C adrenergic receptor 2
- Solute carrier family 22 member 3 2
- Alpha-1A adrenergic receptor 2
- Dopamine receptor D4 2
- Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor 2
- 5-hydroxytryptamine receptor 2C 2
- Trace amine-associated receptor 1 2
- Alpha-synuclein 2
- Solute carrier family 22 member 1 1
- Sigma non-opioid intracellular receptor 1 1
- cAMP-regulated phosphoprotein 19 1
- Tyrosine-protein kinase Fyn 1
- CB1 cannabinoid receptor-interacting protein 1 1
- Procathepsin L 1
- Melatonin receptor type 1A 1
- Cannabinoid receptor 1 1
- Delta-type opioid receptor/Kappa-type opioid receptor/Mu-type opioid receptor/Sigma non-opioid intracellular receptor 1 1
- Arginase-1 1
- Beta-1 adrenergic receptor 1
- M18 aspartyl aminopeptidase 1
- Anthrax toxin receptor 2 1
- 5-hydroxytryptamine receptor 2A 1
- 5-hydroxytryptamine receptor 3A 1
- Melatonin receptor type 1B 1
- 5-hydroxytryptamine receptor 6 1
- Adenosine receptor A2b 1
- Adenylate cyclase type 1 1
- ...
Publications 50▿
- J Med Chem 43: 756-62 (2000) 25
- J Med Chem 57: 391-410 (2014) 12
- J Med Chem 63: 5526-5567 (2020) 9
- NIDA Res Monogr 178: 440-66 (1998) 8
- J Med Chem 59: 2973-88 (2016) 8
- J Med Chem 60: 2908-2929 (2017) 8
- Mol Pharmacol 12: 800-12 (1976) 7
- Bioorg Med Chem Lett 13: 4133-7 (2003) 6
- J Med Chem 49: 7450-65 (2006) 6
- J Med Chem 47: 3853-64 (2004) 6
- J Med Chem 55: 10302-6 (2012) 5
- Mol Pharmacol 45: 125-35 (1994) 5
- J Med Chem 51: 6829-38 (2008) 5
- ACS Med Chem Lett 10: 792-799 (2019) 5
- Nature 350: 610-4 (1991) 4
- J Med Chem 41: 4933-8 (1999) 4
- Bioorg Med Chem 21: 1680-4 (2013) 4
- J Med Chem 58: 9179-95 (2015) 4
- J Med Chem 43: 3005-19 (2000) 4
- J Pharmacol Exp Ther 227: 592-9 (1983) 4
- J Med Chem 38: 3445-7 (1995) 4
- Bioorg Med Chem 24: 5088-5102 (2016) 4
- J Med Chem 49: 6848-57 (2006) 3
- Naunyn Schmiedebergs Arch Pharmacol 361: 569-72 (2000) 3
- J Med Chem 65: 12124-12139 (2022) 3
- Synapse 39: 32-41 (2001) 3
- J Neuropsychiatry Clin Neurosci 8: 223-6 (1996) 3
- Eur J Med Chem 55: 255-61 (2012) 3
- J Pharmacol Exp Ther 290: 761-7 (1999) 3
- J Med Chem 25: 990-2 (1982) 3
- J Biol Chem 273: 32776-86 (1998) 3
- Bioorg Med Chem 17: 4756-62 (2009) 3
- J Med Chem 39: 4421-9 (1996) 3
- J Med Chem 60: 4693-4713 (2017) 3
- Eur J Pharmacol 166: 493-504 (1989) 3
- Bioorg Med Chem 16: 3438-44 (2008) 2
- J Med Chem 29: 1904-12 (1986) 2
- J Med Chem 39: 850-9 (1996) 2
- Arzneimittelforschung 42: 224-30 (1992) 2
- J Med Chem 48: 2646-54 (2005) 2
- J Med Chem 29: 1889-95 (1986) 2
- Nature 305: 140-2 (1983) 2
- J Med Chem 31: 2027-33 (1988) 2
- J Med Chem 61: 10017-10039 (2018) 2
- J Med Chem 29: 186-93 (1986) 2
- J Med Chem 25: 1442-6 (1982) 2
- J Pharmacol Exp Ther 262: 929-35 (1992) 2
- Nature 347: 146-51 (1990) 2
- J Med Chem 60: 2890-2907 (2017) 2
- J Med Chem 30: 1166-76 (1987) 2
- ...
Institutions 33▿
- Friedrich-Alexander University 34
- TBA 23
- Abbott Laboratories 16
- University Of Amsterdam 12
- National Institute Of Neurological Disorders And Stroke 9
- Universit£ 9
- University of Toronto 9
- Columbia University College Of Physicians And Surgeons 8
- Friedrich-Alexander University Erlangen-N£Rnberg 8
- Sri International 8
- Wayne State University 8
- University Of Tartu 6
- Organix 6
- University Of Innsbruck 5
- University Of Texas Medical Branch 5
- U. 109 4
- University of California 4
- University Of Texas 4
- The University of Queensland 3
- Medical College Of Georgia 3
- Uppsala University 3
- Novo Industri 3
- Purdue University 3
- Croissy-Sur-Seine Paris 3
- Nih 3
- Friedrich-Alexander University Erlangen-Nuernberg 3
- National Institute On Drug Abuse-Intramural Research Program 2
- College of France 2
- Va Medical Center 2
- Dupont Pharmaceuticals 2
- University Centre For Pharmacy 2
- Huazhong University Of Science And Technology 2
- Vanderbilt University 2
- ...
Affinity: 0 to 1.2E+7 nM▿
- Ki 216
- IC50 51
- Kd 7
- EC50 101
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1