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Compile Data Set for Download or QSAR

Found 94 hits Enz. Inhib. hit(s) with all data for entry = 50048727   
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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50225285
PNG
(CHEBI:3757 | Catapres | Catapres-Tts-1 | Catapres-...)
Show SMILES Clc1cccc(Cl)c1NC1=NCCN1 |t:10|
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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1.5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
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1.80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226320
PNG
(CHEMBL31576)
Show SMILES CNc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C10H15Cl2N5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
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4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226332
PNG
(CHEMBL29001)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
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5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226314
PNG
(CHEMBL287106)
Show SMILES CC(C)Nc1nc(nc(Cl)c1C)N1CCNCC1
Show InChI InChI=1S/C12H20ClN5/c1-8(2)15-11-9(3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226313
PNG
(CHEMBL31950)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCN(C)CC1
Show InChI InChI=1S/C12H19BrClN5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50021365
PNG
(CHEMBL407641 | Mezilamine | [4-Chloro-6-(4-methyl-...)
Show SMILES CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Show InChI InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50021365
PNG
(CHEMBL407641 | Mezilamine | [4-Chloro-6-(4-methyl-...)
Show SMILES CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Show InChI InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226314
PNG
(CHEMBL287106)
Show SMILES CC(C)Nc1nc(nc(Cl)c1C)N1CCNCC1
Show InChI InChI=1S/C12H20ClN5/c1-8(2)15-11-9(3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50226323
PNG
(CHEMBL28573)
Show SMILES CSc1c(Cl)nc(nc1NCc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C17H22ClN5S/c1-22-8-10-23(11-9-22)17-20-15(18)14(24-2)16(21-17)19-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20,21)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226332
PNG
(CHEMBL29001)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
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14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]idazoxan to alpha-2 adrenergic receptors of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226331
PNG
(CHEMBL29275)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1
Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226326
PNG
(CHEMBL31957)
Show SMILES CC(C)Nc1nc(nc(Cl)c1C)N1CCN(C)CC1
Show InChI InChI=1S/C13H22ClN5/c1-9(2)15-12-10(3)11(14)16-13(17-12)19-7-5-18(4)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226321
PNG
(CHEMBL284188)
Show SMILES CSc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C15H24ClN5S/c1-20-7-9-21(10-8-20)15-18-13(16)12(22-2)14(19-15)17-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,18,19)
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226315
PNG
(CHEMBL441773)
Show SMILES CSc1c(Cl)nc(nc1NC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C13H22ClN5S/c1-9(2)15-12-10(20-4)11(14)16-13(17-12)19-7-5-18(3)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226331
PNG
(CHEMBL29275)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1
Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226327
PNG
(CHEMBL283076)
Show SMILES COc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C15H24ClN5O/c1-20-7-9-21(10-8-20)15-18-13(16)12(22-2)14(19-15)17-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,18,19)
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29n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226312
PNG
(CHEMBL28249)
Show SMILES CSc1c(Cl)nc(nc1NC(C)C)N1CCNCC1
Show InChI InChI=1S/C12H20ClN5S/c1-8(2)15-11-9(19-3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
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36n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50021365
PNG
(CHEMBL407641 | Mezilamine | [4-Chloro-6-(4-methyl-...)
Show SMILES CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Show InChI InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226332
PNG
(CHEMBL29001)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C12H19Cl2N5/c1-8(2)15-11-9(13)10(14)16-12(17-11)19-6-4-18(3)5-7-19/h8H,4-7H2,1-3H3,(H,15,16,17)
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42n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226320
PNG
(CHEMBL31576)
Show SMILES CNc1nc(nc(Cl)c1Cl)N1CCN(C)CC1
Show InChI InChI=1S/C10H15Cl2N5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
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44n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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45n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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48n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226327
PNG
(CHEMBL283076)
Show SMILES COc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C15H24ClN5O/c1-20-7-9-21(10-8-20)15-18-13(16)12(22-2)14(19-15)17-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,18,19)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226333
PNG
(CHEMBL31488)
Show SMILES CN1CCN(CC1)c1nc(N)c(Cl)c(Cl)n1
Show InChI InChI=1S/C9H13Cl2N5/c1-15-2-4-16(5-3-15)9-13-7(11)6(10)8(12)14-9/h2-5H2,1H3,(H2,12,13,14)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226316
PNG
(CHEMBL31403)
Show SMILES COc1c(Cl)nc(nc1NC(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C13H22ClN5O/c1-9(2)15-12-10(20-4)11(14)16-13(17-12)19-7-5-18(3)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226319
PNG
(CHEMBL416196)
Show SMILES CNc1cc(Cl)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C10H16ClN5/c1-12-9-7-8(11)13-10(14-9)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226312
PNG
(CHEMBL28249)
Show SMILES CSc1c(Cl)nc(nc1NC(C)C)N1CCNCC1
Show InChI InChI=1S/C12H20ClN5S/c1-8(2)15-11-9(19-3)10(13)16-12(17-11)18-6-4-14-5-7-18/h8,14H,4-7H2,1-3H3,(H,15,16,17)
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62n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226333
PNG
(CHEMBL31488)
Show SMILES CN1CCN(CC1)c1nc(N)c(Cl)c(Cl)n1
Show InChI InChI=1S/C9H13Cl2N5/c1-15-2-4-16(5-3-15)9-13-7(11)6(10)8(12)14-9/h2-5H2,1H3,(H2,12,13,14)
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67n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226321
PNG
(CHEMBL284188)
Show SMILES CSc1c(Cl)nc(nc1NC1CCCC1)N1CCN(C)CC1
Show InChI InChI=1S/C15H24ClN5S/c1-20-7-9-21(10-8-20)15-18-13(16)12(22-2)14(19-15)17-11-5-3-4-6-11/h11H,3-10H2,1-2H3,(H,17,18,19)
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76n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226336
PNG
(CHEMBL28184)
Show SMILES CCNc1nc(nc(Cl)c1SC)N1CCN(C)CC1
Show InChI InChI=1S/C12H20ClN5S/c1-4-14-11-9(19-3)10(13)15-12(16-11)18-7-5-17(2)6-8-18/h4-8H2,1-3H3,(H,14,15,16)
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90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50021365
PNG
(CHEMBL407641 | Mezilamine | [4-Chloro-6-(4-methyl-...)
Show SMILES CNc1nc(Cl)c(SC)c(n1)N1CCN(C)CC1
Show InChI InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
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91n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226322
PNG
(CHEMBL31548)
Show SMILES CN1CCN(CC1)c1nc(Cl)c(Cl)c(NC2CCCC2)n1
Show InChI InChI=1S/C14H21Cl2N5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19)
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97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]idazoxan to alpha-2 adrenergic receptors of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226319
PNG
(CHEMBL416196)
Show SMILES CNc1cc(Cl)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C10H16ClN5/c1-12-9-7-8(11)13-10(14-9)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]idazoxan binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226323
PNG
(CHEMBL28573)
Show SMILES CSc1c(Cl)nc(nc1NCc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C17H22ClN5S/c1-22-8-10-23(11-9-22)17-20-15(18)14(24-2)16(21-17)19-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20,21)
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100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
PDB
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226322
PNG
(CHEMBL31548)
Show SMILES CN1CCN(CC1)c1nc(Cl)c(Cl)c(NC2CCCC2)n1
Show InChI InChI=1S/C14H21Cl2N5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19)
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120n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226329
PNG
(CHEMBL28448)
Show SMILES CC(C)Nc1cc(Cl)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H20ClN5/c1-9(2)14-11-8-10(13)15-12(16-11)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,14,15,16)
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130n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226328
PNG
(CHEMBL31996)
Show SMILES CN1CCN(CC1)c1nc(Cl)c(Br)c(NC2CCCC2)n1
Show InChI InChI=1S/C14H21BrClN5/c1-20-6-8-21(9-7-20)14-18-12(16)11(15)13(19-14)17-10-4-2-3-5-10/h10H,2-9H2,1H3,(H,17,18,19)
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226337
PNG
(CHEMBL414191)
Show SMILES CSc1c(Cl)nc(nc1Nc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C16H20ClN5S/c1-21-8-10-22(11-9-21)16-19-14(17)13(23-2)15(20-16)18-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3,(H,18,19,20)
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140n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226324
PNG
(CHEMBL284807)
Show SMILES CNc1nc(nc(Cl)c1OC)N1CCN(C)CC1
Show InChI InChI=1S/C11H18ClN5O/c1-13-10-8(18-3)9(12)14-11(15-10)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226338
PNG
(CHEMBL285326)
Show SMILES CNc1nc(nc(Cl)c1Br)N1CCN(C)CC1
Show InChI InChI=1S/C10H15BrClN5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226317
PNG
(CHEMBL32058)
Show SMILES CSc1c(Cl)nc(nc1NCCc1ccccc1)N1CCN(C)CC1
Show InChI InChI=1S/C18H24ClN5S/c1-23-10-12-24(13-11-23)18-21-16(19)15(25-2)17(22-18)20-9-8-14-6-4-3-5-7-14/h3-7H,8-13H2,1-2H3,(H,20,21,22)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226329
PNG
(CHEMBL28448)
Show SMILES CC(C)Nc1cc(Cl)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H20ClN5/c1-9(2)14-11-8-10(13)15-12(16-11)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,14,15,16)
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>180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226338
PNG
(CHEMBL285326)
Show SMILES CNc1nc(nc(Cl)c1Br)N1CCN(C)CC1
Show InChI InChI=1S/C10H15BrClN5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226335
PNG
(CHEMBL284682)
Show SMILES CSc1c(Cl)nc(nc1NC(C)(C)C)N1CCN(C)CC1
Show InChI InChI=1S/C14H24ClN5S/c1-14(2,3)18-12-10(21-5)11(15)16-13(17-12)20-8-6-19(4)7-9-20/h6-9H2,1-5H3,(H,16,17,18)
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180n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]clonidine binding to alpha-2 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
D(1A)/D(1B)/D(2)/D(3)/D(4) dopamine receptor


(Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)
BDBM50226338
PNG
(CHEMBL285326)
Show SMILES CNc1nc(nc(Cl)c1Br)N1CCN(C)CC1
Show InChI InChI=1S/C10H15BrClN5/c1-13-9-7(11)8(12)14-10(15-9)17-5-3-16(2)4-6-17/h3-6H2,1-2H3,(H,13,14,15)
PDB
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity to Dopamine receptors of rat striatal membranes by [3H]spiroperidol displacement.


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
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))
BDBM50226329
PNG
(CHEMBL28448)
Show SMILES CC(C)Nc1cc(Cl)nc(n1)N1CCN(C)CC1
Show InChI InChI=1S/C12H20ClN5/c1-9(2)14-11-8-10(13)15-12(16-11)18-6-4-17(3)5-7-18/h8-9H,4-7H2,1-3H3,(H,14,15,16)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]idazoxan to alpha-2 adrenergic receptors of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226326
PNG
(CHEMBL31957)
Show SMILES CC(C)Nc1nc(nc(Cl)c1C)N1CCN(C)CC1
Show InChI InChI=1S/C13H22ClN5/c1-9(2)15-12-10(3)11(14)16-13(17-12)19-7-5-18(4)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50226331
PNG
(CHEMBL29275)
Show SMILES CC(C)Nc1nc(nc(Cl)c1Br)N1CCNCC1
Show InChI InChI=1S/C11H17BrClN5/c1-7(2)15-10-8(12)9(13)16-11(17-10)18-5-3-14-4-6-18/h7,14H,3-6H2,1-2H3,(H,15,16,17)
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200n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity was measured as the inhibition of [3H]WB-4101 binding to alpha-1 adrenergic receptor of rat cortical membranes


J Med Chem 29: 1394-8 (1986)


BindingDB Entry DOI: 10.7270/Q21R6SQQ
More data for this
Ligand-Target Pair
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