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Compile Data Set for Download or QSAR

Found 192 hits with Last Name = 'macchia' and Initial = 'b'   
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
D(2) dopamine receptor


(BOVINE)
BDBM50122735
PNG
(3-(4-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)
Show SMILES CCCN1CCCC(C1)C1CCC(C)CC1 |(7.31,-8.59,;5.97,-7.82,;4.64,-8.61,;3.3,-7.82,;1.97,-8.62,;.64,-7.85,;.64,-6.31,;1.97,-5.54,;3.3,-6.31,;1.97,-4,;3.3,-3.23,;3.3,-1.69,;1.97,-.92,;1.96,.62,;.64,-1.69,;.64,-3.23,)|
Show InChI InChI=1S/C15H29N/c1-3-10-16-11-4-5-15(12-16)14-8-6-13(2)7-9-14/h13-15H,3-12H2,1-2H3
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4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122737
PNG
(3-Cyclohexyl-1-propyl-piperidine; hydrochloride | ...)
Show SMILES CCCN1CCCC(C1)C1CCCCC1
Show InChI InChI=1S/C14H27N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h13-14H,2-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122736
PNG
(3-(3-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)
Show SMILES CCCN1CCCC(C1)C1CCCC(C)C1
Show InChI InChI=1S/C15H29N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h13-15H,3-12H2,1-2H3
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5n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50010891
PNG
(1-Aminomethyl-isochroman-5,6-diol | 1-Aminomethyl-...)
Show SMILES NCC1OCCc2c(O)c(O)ccc12
Show InChI InChI=1S/C10H13NO3/c11-5-9-6-1-2-8(12)10(13)7(6)3-4-14-9/h1-2,9,12-13H,3-5,11H2
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7.40n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-2 adrenergic receptor in rat brain using [3H]- rauwolscine as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
D(4) dopamine receptor


(Homo sapiens (Human))
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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9n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Dopamine receptor D4


Bioorg Med Chem Lett 11: 223-6 (2001)


BindingDB Entry DOI: 10.7270/Q2Z89CZK
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(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
D(2) dopamine receptor


(BOVINE)
BDBM50068422
PNG
(3-(3,4-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C16H25N/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
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19n/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
D(2) dopamine receptor


(BOVINE)
BDBM50058225
PNG
(CHEMBL45244 | N-((4-(2-cyanophenyl)piperazin-1-yl)...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCN(CC1)c1ccccc1C#N
Show InChI InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
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25n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122731
PNG
(3-(2-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)
Show SMILES CCCN1CCCC(C1)C1CCCCC1C
Show InChI InChI=1S/C15H29N/c1-3-10-16-11-6-8-14(12-16)15-9-5-4-7-13(15)2/h13-15H,3-12H2,1-2H3
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26n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000502
PNG
(4-Morpholin-2-yl-benzene-1,2-diol | CHEMBL7681)
Show SMILES Oc1ccc(cc1O)C1CNCCO1
Show InChI InChI=1S/C10H13NO3/c12-8-2-1-7(5-9(8)13)10-6-11-3-4-14-10/h1-2,5,10-13H,3-4,6H2
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26n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50068422
PNG
(3-(3,4-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1ccc(C)c(C)c1
Show InChI InChI=1S/C16H25N/c1-4-9-17-10-5-6-16(12-17)15-8-7-13(2)14(3)11-15/h7-8,11,16H,4-6,9-10,12H2,1-3H3
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27n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122734
PNG
(3-Phenyl-1-propyl-piperidine; hydrochloride | CHEM...)
Show SMILES CCCN1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C14H21N/c1-2-10-15-11-6-9-14(12-15)13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3
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39n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122732
PNG
(1-Propyl-3-m-tolyl-piperidine; hydrochloride | CHE...)
Show SMILES CCCN1CCCC(C1)c1cccc(C)c1
Show InChI InChI=1S/C15H23N/c1-3-9-16-10-5-8-15(12-16)14-7-4-6-13(2)11-14/h4,6-7,11,15H,3,5,8-10,12H2,1-2H3
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42n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50068426
PNG
(3-(2,3-Dimethyl-phenyl)-piperidine | CHEMBL144019)
Show SMILES Cc1cccc(C2CCCNC2)c1C
Show InChI InChI=1S/C13H19N/c1-10-5-3-7-13(11(10)2)12-6-4-8-14-9-12/h3,5,7,12,14H,4,6,8-9H2,1-2H3
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43n/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
D(2) dopamine receptor


(BOVINE)
BDBM50122738
PNG
(1-Propyl-3-p-tolyl-piperidine; hydrochloride | CHE...)
Show SMILES CCCN1CCCC(C1)c1ccc(C)cc1
Show InChI InChI=1S/C15H23N/c1-3-10-16-11-4-5-15(12-16)14-8-6-13(2)7-9-14/h6-9,15H,3-5,10-12H2,1-2H3
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44n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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51n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50068419
PNG
(3-(3,5-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1cc(C)cc(C)c1
Show InChI InChI=1S/C16H25N/c1-4-7-17-8-5-6-15(12-17)16-10-13(2)9-14(3)11-16/h9-11,15H,4-8,12H2,1-3H3
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52n/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
D(2) dopamine receptor


(BOVINE)
BDBM84637
PNG
(CAS_85760-74-3 | CHEMBL240773 | NSC_54562 | QUINPI...)
Show SMILES CCCN1CCC[C@@H]2Cc3[nH]ncc3C[C@@H]12 |r|
Show InChI InChI=1S/C13H21N3/c1-2-5-16-6-3-4-10-7-12-11(8-13(10)16)9-14-15-12/h9-10,13H,2-8H2,1H3,(H,14,15)/t10-,13-/m1/s1
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59n/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
Beta-2 adrenergic receptor


(BOVINE)
BDBM50000504
PNG
(6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1
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62n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-2 adrenergic receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor


(BOVINE)
BDBM50068421
PNG
(3-(2,3-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1cccc(C)c1C
Show InChI InChI=1S/C16H25N/c1-4-10-17-11-6-8-15(12-17)16-9-5-7-13(2)14(16)3/h5,7,9,15H,4,6,8,10-12H2,1-3H3
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75n/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
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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80n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000498
PNG
(2-Amino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol...)
Show SMILES N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
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90n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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110n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-2 adrenergic receptor in bovine lung using [3H]DHA as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50000503
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2,5-triol...)
Show SMILES N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-3-1-6-5(9(7)13)2-4-8(12)10(6)14/h2,4,7,9,12-14H,1,3,11H2/t7-,9-/m1/s1
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120n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards beta-2 receptor of bovine lung


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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126n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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126n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against beta-1 adrenergic receptor in rat brain using [3H]-CGP- 26505 as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50036835
PNG
(1-(3,4-Dichloro-phenyl)-2-isopropylamino-ethanol |...)
Show SMILES CC(C)NCC(O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C11H15Cl2NO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
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140n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding afinity against beta2-adrenergic receptor in bovine lung


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50068423
PNG
(3-(3,4-Dimethyl-phenyl)-piperidine | CHEMBL356746)
Show SMILES Cc1ccc(cc1C)C1CCCNC1
Show InChI InChI=1S/C13H19N/c1-10-5-6-12(8-11(10)2)13-4-3-7-14-9-13/h5-6,8,13-14H,3-4,7,9H2,1-2H3
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140n/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
D(2) dopamine receptor


(BOVINE)
BDBM50068424
PNG
(3-(2,6-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1c(C)cccc1C
Show InChI InChI=1S/C16H25N/c1-4-10-17-11-6-9-15(12-17)16-13(2)7-5-8-14(16)3/h5,7-8,15H,4,6,9-12H2,1-3H3
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156n/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
D(2) dopamine receptor


(BOVINE)
BDBM50068427
PNG
(3-(3,5-Dimethyl-phenyl)-piperidine | CHEMBL342345)
Show SMILES Cc1cc(C)cc(c1)C1CCCNC1
Show InChI InChI=1S/C13H19N/c1-10-6-11(2)8-13(7-10)12-4-3-5-14-9-12/h6-8,12,14H,3-5,9H2,1-2H3
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240n/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
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50000498
PNG
(2-Amino-1,2,3,4-tetrahydro-naphthalene-1,6,7-triol...)
Show SMILES N[C@@H]1CCc2cc(O)c(O)cc2[C@H]1O
Show InChI InChI=1S/C10H13NO3/c11-7-2-1-5-3-8(12)9(13)4-6(5)10(7)14/h3-4,7,10,12-14H,1-2,11H2/t7-,10-/m1/s1
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300n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122731
PNG
(3-(2-Methyl-cyclohexyl)-1-propyl-piperidine; hydro...)
Show SMILES CCCN1CCCC(C1)C1CCCCC1C
Show InChI InChI=1S/C15H29N/c1-3-10-16-11-6-8-14(12-16)15-9-5-4-7-13(15)2/h13-15H,3-12H2,1-2H3
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420n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]-YM-09151-2 was carried out on bovine striatal membrane preparations


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50122733
PNG
(1-Propyl-3-o-tolyl-piperidine; hydrochloride | CHE...)
Show SMILES CCCN1CCCC(C1)c1ccccc1C
Show InChI InChI=1S/C15H23N/c1-3-10-16-11-6-8-14(12-16)15-9-5-4-7-13(15)2/h4-5,7,9,14H,3,6,8,10-12H2,1-2H3
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449n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Affinity for Dopamine receptor D2 using [3H]YM-09151-2 was carried out on bovine retinal membrane preparations (high-affinity)


J Med Chem 46: 161-8 (2002)


Article DOI: 10.1021/jm021019a
BindingDB Entry DOI: 10.7270/Q2ZC83K0
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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450n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
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450n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against alpha-1 adrenergic receptor in rat brain using [3H]-Prazosin as radioligand


J Med Chem 36: 3077-86 (1993)


BindingDB Entry DOI: 10.7270/Q2PG1SB1
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50000496
PNG
(4-(3-Hydroxy-piperidin-3-yl)-benzene-1,2-diol | CH...)
Show SMILES Oc1ccc(cc1O)C1(O)CCCNC1
Show InChI InChI=1S/C11H15NO3/c13-9-3-2-8(6-10(9)14)11(15)4-1-5-12-7-11/h2-3,6,12-15H,1,4-5,7H2
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500n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for alpha adrenergic binding affinity towards Alpha-2 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50036840
PNG
(CHEMBL38033 | Propionaldehyde O-(3-tert-butylamino...)
Show SMILES CC\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-6-12-14-8-9(13)7-11-10(2,3)4/h6,9,11,13H,5,7-8H2,1-4H3/b12-6+
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500n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(BOVINE)
BDBM50010617
PNG
((-)-3-(1-Propyl-piperidin-3-yl)-phenol | (S)-3-(1-...)
Show SMILES CCCN1CCC[C@H](C1)c1cccc(O)c1
Show InChI InChI=1S/C14H21NO/c1-2-8-15-9-4-6-13(11-15)12-5-3-7-14(16)10-12/h3,5,7,10,13,16H,2,4,6,8-9,11H2,1H3/t13-/m1/s1
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530n/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
D(2) dopamine receptor


(BOVINE)
BDBM50068420
PNG
(3-(2,5-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1cc(C)ccc1C
Show InChI InChI=1S/C16H25N/c1-4-9-17-10-5-6-15(12-17)16-11-13(2)7-8-14(16)3/h7-8,11,15H,4-6,9-10,12H2,1-3H3
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540n/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
D(2) dopamine receptor


(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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617n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Tested for binding affinity against Dopamine receptor D2 like from bovine striatum membranes by using [3H]YM-09151-2 radioligand


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
D(2) dopamine receptor


(BOVINE)
BDBM50068425
PNG
(3-(2,4-Dimethyl-phenyl)-1-propyl-piperidine | CHEM...)
Show SMILES CCCN1CCCC(C1)c1ccc(C)cc1C
Show InChI InChI=1S/C16H25N/c1-4-9-17-10-5-6-15(12-17)16-8-7-13(2)11-14(16)3/h7-8,11,15H,4-6,9-10,12H2,1-3H3
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720n/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
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50036838
PNG
(Acetaldehyde O-(3-tert-butylamino-2-hydroxy-propyl...)
Show SMILES C\C=N\OCC(O)CNC(C)(C)C
Show InChI InChI=1S/C9H20N2O2/c1-5-11-13-7-8(12)6-10-9(2,3)4/h5,8,10,12H,6-7H2,1-4H3/b11-5+
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760n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50000504
PNG
(6-Isopropylamino-5,6,7,8-tetrahydro-naphthalene-1,...)
Show SMILES CC(C)N[C@@H]1CCc2c(O)c(O)ccc2[C@H]1O
Show InChI InChI=1S/C13H19NO3/c1-7(2)14-10-5-3-9-8(12(10)16)4-6-11(15)13(9)17/h4,6-7,10,12,14-17H,3,5H2,1-2H3/t10-,12-/m1/s1
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760n/an/an/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Compound was evaluated for beta adrenergic binding affinity towards Beta-1 adrenergic receptor of rat brain


J Med Chem 35: 1009-18 (1992)


BindingDB Entry DOI: 10.7270/Q2J38T5T
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(BOVINE)
BDBM50036842
PNG
(3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...)
Show SMILES CCCO\N=C\C(O)CNC(C)(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+
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850n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding afinity against beta2-adrenergic receptor in bovine lung


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50036842
PNG
(3-tert-Butylamino-2-hydroxy-propionaldehyde O-prop...)
Show SMILES CCCO\N=C\C(O)CNC(C)(C)C
Show InChI InChI=1S/C10H22N2O2/c1-5-6-14-12-8-9(13)7-11-10(2,3)4/h8-9,11,13H,5-7H2,1-4H3/b12-8+
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850n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50036839
PNG
(2-Hydroxy-3-isopropylamino-propionaldehyde O-ethyl...)
Show SMILES CCO\N=C\C(O)CNC(C)C
Show InChI InChI=1S/C8H18N2O2/c1-4-12-10-6-8(11)5-9-7(2)3/h6-9,11H,4-5H2,1-3H3/b10-6+
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1.04E+3n/an/an/an/an/an/an/an/a



Universitá di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against beta1-adrenergic receptor in rat brain


J Med Chem 37: 1518-25 (1994)


BindingDB Entry DOI: 10.7270/Q2V69HM4
More data for this
Ligand-Target Pair
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