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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 211.2
BDBM25392
Purchase
Wt: 153.1
BDBM55121
Purchase
Wt: 218.2
BDBM50131357
Wt: 190.2
BDBM50366923
Wt: 217.2
BDBM50213027
Wt: 213.2
BDBM50213029
Wt: 175.2
BDBM50213213
Wt: 193.2
BDBM50225327
Wt: 207.2
BDBM50225334
Wt: 179.2
BDBM50225337
Wt: 179.2
BDBM50225343
Wt: 209.2
BDBM50225302
Wt: 195.2
BDBM50225303
Wt: 181.1
BDBM50225442
Wt: 181.1
BDBM50225443
Displayed 1 to 15 (of 144 total )  |  Next  |  Last  >>

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

Found 516 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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on the high affinity site of Dopamine receptor D4.4


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.80n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on high Affinity Site of Bovine dopamine receptor D2. Tested for ability to displace the radioligand [3H]pramipexole was tested


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from Dopamine receptor D2


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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1.90n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-quinpirole from human dopamine D2A receptors expressed in LtK cells


Bioorg Med Chem Lett 9: 2167-72 (1999)


Article DOI: 10.1016/s0960-894x(99)00345-5
BindingDB Entry DOI: 10.7270/Q2CF9P97
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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2n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from high-affinity state of human dopamine D2L receptor (443 amino acids) expressed in LTK deficient mouse fibroblast...


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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2.80n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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2.90n/an/an/an/an/an/an/an/a



NeuroSearch Sweden AB

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D2 receptor at high affinity state expressed in HEK293 cells


J Med Chem 53: 2510-20 (2010)


Article DOI: 10.1021/jm901689v
BindingDB Entry DOI: 10.7270/Q2NG4RKK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2A adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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5.90n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to human alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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6.20n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in CHO cells


J Med Chem 51: 6829-38 (2008)


Article DOI: 10.1021/jm800895v
BindingDB Entry DOI: 10.7270/Q2SN08TC
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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7n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on High Affinity Site of Bovine Dopamine receptor D1. Tested for ability to displace the radioligand [3H]-SCH- 23390


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50225327
PNG
(CHEMBL31062)
Show SMILES CNCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO2/c1-12-6-7-2-3-9-8(7)4-5-10(13)11(9)14/h4-5,7,12-14H,2-3,6H2,1H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
DRD2


(CANINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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7.5n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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7.60n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D3 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01612
BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50213213
PNG
(CHEMBL50430)
Show SMILES Cc1ccccc1N=C1NCCN1
Show InChI InChI=1S/C10H13N3/c1-8-4-2-3-5-9(8)13-10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H2,11,12,13)
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7.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity for Alpha-2 adrenergic receptor of CHO-C10 membrane preparation


Citation and Details
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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8n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Displacement of [3H]-NPA from dopamine D2L receptor (unknown origin) expressed in CHO cell membranes


J Med Chem 56: 9199-221 (2013)


Article DOI: 10.1021/jm401318w
BindingDB Entry DOI: 10.7270/Q2RF5WGV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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8.70n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Displacement of [3H]7-OH-DPAT from human D2 receptor transfected in HEK293 cells measured after 60 mins by liquid scintillation counter


J Med Chem 59: 2973-88 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01612
BindingDB Entry DOI: 10.7270/Q2708393
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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11n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on high Affinity Site of Bovine Dopamine D2 Receptor. Tested for ability to displace the radioligand [3H]spiperone was te...


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50225302
PNG
(CHEMBL433083)
Show SMILES CN(C)CC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C11H15NO3/c1-12(2)5-10-7-3-4-9(13)11(14)8(7)6-15-10/h3-4,10,13-14H,5-6H2,1-2H3
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11n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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11n/an/an/an/an/an/an/an/a



Universita' di Siena

Curated by ChEMBL


Assay Description
Binding affinity which represents concentration giving half-maximal inhibition of [3H]7-OH-DPAT binding to Dopamine receptor D3 in rat tissue homogen...


J Med Chem 41: 3763-72 (1998)


Article DOI: 10.1021/jm9706832
BindingDB Entry DOI: 10.7270/Q2JH3MVJ
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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11.7n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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13.2n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]-raclopride from Dopamine receptor D3


J Med Chem 39: 4421-9 (1996)


Article DOI: 10.1021/jm960350p
BindingDB Entry DOI: 10.7270/Q21G0KCQ
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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15n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of [3H]YM-09151-2 binding to bovine retina membrane Dopamine receptor D2, high affinity site


J Med Chem 41: 4933-8 (1999)


Article DOI: 10.1021/jm9708700
BindingDB Entry DOI: 10.7270/Q2FJ2HGD
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro affinity against Dopamine receptor D2 using [3H]DP-5,6-ADTN radioligand in rat striatal homogenate.


J Med Chem 29: 1889-95 (1986)


Article DOI: 10.1021/jm00160a016
BindingDB Entry DOI: 10.7270/Q2ZC83F6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225343
PNG
(CHEMBL31195)
Show SMILES NCC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-5-6-1-2-8-7(6)3-4-9(12)10(8)13/h3-4,6,12-13H,1-2,5,11H2
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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15n/an/an/an/an/an/an/an/a



University of Tartu

Curated by ChEMBL


Assay Description
Displacement of [3H]raclopride from human D3 receptor expressed in HEK293 cells


Eur J Med Chem 55: 255-61 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.025
BindingDB Entry DOI: 10.7270/Q2VT1T56
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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16.8n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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17n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity on High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
DRD1


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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17.5n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 12: 800-12 (1976)


BindingDB Entry DOI: 10.7270/Q22B8WH6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50225303
PNG
(CHEMBL52069)
Show SMILES CNCC1OCc2c1ccc(O)c2O
Show InChI InChI=1S/C10H13NO3/c1-11-4-9-6-2-3-8(12)10(13)7(6)5-14-9/h2-3,9,11-13H,4-5H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human adrenergic alpha-2C adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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20n/an/an/an/an/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Displacement of [3H]YM-09151-2 from human dopamine D3 receptor expressed in CHOp cells


J Med Chem 55: 10302-6 (2012)


Article DOI: 10.1021/jm301258w
BindingDB Entry DOI: 10.7270/Q24X58ZX
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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20n/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))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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20n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding affinity on High Affinity Site of Dopamine receptor D2L


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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21n/an/an/an/an/an/an/an/a



Friedrich Alexander University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO cells


Bioorg Med Chem 21: 1680-4 (2013)


Article DOI: 10.1016/j.bmc.2013.01.065
BindingDB Entry DOI: 10.7270/Q21Z45SG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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22n/an/an/an/an/an/an/an/a



University of Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]-iodosulpiride from cloned human dopamine D2S receptor expressed in CHO cells


J Med Chem 57: 391-410 (2014)


Article DOI: 10.1021/jm401384w
BindingDB Entry DOI: 10.7270/Q2WS8VQD
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)


Article DOI: 10.1016/s0960-894x(03)00525-0
BindingDB Entry DOI: 10.7270/Q2T43SGC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50131357
PNG
(4-(5-Fluoro-indan-2-ylmethyl)-4,5-dihydro-1H-imida...)
Show SMILES Fc1ccc2CC(CC3CNC=N3)Cc2c1
Show InChI InChI=1S/C13H15FN2/c14-12-2-1-10-3-9(4-11(10)6-12)5-13-7-15-8-16-13/h1-2,6,8-9,13H,3-5,7H2,(H,15,16)
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23n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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23n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Arzneimittelforschung 42: 224-30 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4VK6
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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25n/an/an/an/an/an/an/an/a



U. 109

Curated by PDSP Ki Database




Nature 347: 146-51 (1990)


Article DOI: 10.1038/347146a0
BindingDB Entry DOI: 10.7270/Q2CC0Z5N
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2 adrenergic receptor in rat using [3H]rauwolscine as radioligand


J Med Chem 28: 1398-404 (1985)


Article DOI: 10.1021/jm00148a005
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens-Homo sapiens (Human))
BDBM50225334
PNG
(CHEMBL281064)
Show SMILES CN(C)CC1CCc2c1ccc(O)c2O
Show InChI InChI=1S/C12H17NO2/c1-13(2)7-8-3-4-10-9(8)5-6-11(14)12(10)15/h5-6,8,14-15H,3-4,7H2,1-2H3
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25n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards alpha 2 adrenergic receptor


J Med Chem 30: 178-84 (1987)


Article DOI: 10.1021/jm00384a030
More data for this
Ligand-Target Pair
DRD2


(CANINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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28n/an/an/an/an/an/an/an/a



University of Toronto

Curated by PDSP Ki Database




Nature 350: 610-4 (1991)


Article DOI: 10.1038/350610a0
BindingDB Entry DOI: 10.7270/Q24T6GVD
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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29n/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
Dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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33.9n/an/an/an/an/an/an/an/a



Croissy-sur-Seine Paris

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 361: 569-72 (2000)


Article DOI: 10.1016/j.bioorg.2015.12.005
BindingDB Entry DOI: 10.7270/Q2GB22M2
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
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34n/an/an/an/an/an/an/an/a



Friedrich-Alexander University

Curated by ChEMBL


Assay Description
Binding Affinity was tested on relative proportion of High Affinity Site of Dopamine receptor D2S


J Med Chem 43: 756-62 (2000)


Article DOI: 10.1021/jm991098z
BindingDB Entry DOI: 10.7270/Q27W6CXP
More data for this
Ligand-Target Pair
DRD2


(BOVINE)
BDBM55121
PNG
(3-HYDROXYTYRAMINE HYDROCHLORIDE | 4-(2-aminoethyl)...)
Show SMILES NCCc1ccc(O)c(O)c1
Show InChI InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
UniProtKB/SwissProt

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DrugBank
KEGG
PC cid
PC sid
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UniChem

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Article
PubMed
34n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
High binding affinity of the compound for dopamine D-2 receptor from bovine anterior pitutary membrane, using radioligand [3H]-spiroperidol


J Med Chem 32: 961-8 (1989)


Article DOI: 10.1021/jm00125a007
BindingDB Entry DOI: 10.7270/Q2CN72WQ
More data for this
Ligand-Target Pair
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