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PubMed code 9703460

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50369383
PNG
(CHEMBL1788222)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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0.260n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50369383
PNG
(CHEMBL1788222)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1
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0.420n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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0.5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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0.650n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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0.670n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.10n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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1.40n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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3.90n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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5.5n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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16n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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32n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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>50n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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>50n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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>50n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50455098
PNG
(CHEMBL2092926)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m0/s1
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55n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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56n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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73n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells at 10 uM


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50369383
PNG
(CHEMBL1788222)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1
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116n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50455096
PNG
(CHEMBL2092927)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m0/s1
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122n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1A adrenergic receptorof rat submaxillary gland membranes


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50455098
PNG
(CHEMBL2092926)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m0/s1
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123n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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132n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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155n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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237n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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238n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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239n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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239n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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253n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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376n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50369383
PNG
(CHEMBL1788222)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m1/s1
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444n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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449n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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449n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Dopamine receptor D2 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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451n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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547n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (rat))
BDBM50455096
PNG
(CHEMBL2092927)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m0/s1
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667n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from Alpha-1B adrenergic receptor of rat liver membrane


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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685n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50066110
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-6H-i...)
Show SMILES COc1ccccc1N1CCN(Cc2cn3c(n2)c2ccccc2[nH]c3=O)CC1
Show InChI InChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,15H,10-14H2,1H3,(H,24,28)
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743n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50369382
PNG
(CHEMBL1788223)
Show SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m1/s1
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872n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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961n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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985n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50066115
PNG
(3-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-6H-im...)
Show SMILES Oc1nc2ccccc2c2ncc(CN3CCN(CC3)c3ccccc3Cl)n12
Show InChI InChI=1S/C21H20ClN5O/c22-17-6-2-4-8-19(17)26-11-9-25(10-12-26)14-15-13-23-20-16-5-1-3-7-18(16)24-21(28)27(15)20/h1-8,13H,9-12,14H2,(H,24,28)
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1.50E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50040253
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C21H24N4O3/c1-28-19-9-5-4-8-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-6-2-3-7-17(16)22-21(25)27/h2-9H,10-15H2,1H3,(H,22,27)
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1.81E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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2.20E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards recombinant human Dopamine receptor D3 using [3H]spiperone in CHO cells


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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>2.32E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Histamine H1 receptor using [3H]pyrilamine in guinea pig lung


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50455096
PNG
(CHEMBL2092927)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(SC)=Nc2ccccc32)CC1
Show InChI InChI=1S/C23H27N5OS/c1-29-21-10-6-5-9-20(21)27-13-11-26(12-14-27)16-17-15-24-22-18-7-3-4-8-19(18)25-23(30-2)28(17)22/h3-10,17H,11-16H2,1-2H3/t17-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2A adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50066112
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-6H-i...)
Show SMILES COc1ccccc1N1CCN(Cc2cnc3c4ccccc4nc(O)n23)CC1
Show InChI InChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
KEGG

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4.00E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]-8-OH- -DPAT in rat brain cortex


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50040260
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN3C(=N2)c2ccccc2NC3=O)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)14-16-15-27-21(23-16)17-6-2-3-7-18(17)24-22(27)28/h2-9,16H,10-15H2,1H3,(H,24,28)
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4.00E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50066109
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-2,6-...)
Show SMILES COc1ccccc1N1CCN(CC2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)
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>6.27E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50066112
PNG
(3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-6H-i...)
Show SMILES COc1ccccc1N1CCN(Cc2cnc3c4ccccc4nc(O)n23)CC1
Show InChI InChI=1S/C22H23N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,14H,10-13,15H2,1H3,(H,24,28)
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6.52E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Sigma receptor using [3H]pentazocine in guinea pig brain


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50455098
PNG
(CHEMBL2092926)
Show SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3N2C(=O)Nc2ccccc32)CC1
Show InChI InChI=1S/C22H25N5O2/c1-29-20-9-5-4-8-19(20)26-12-10-25(11-13-26)15-16-14-23-21-17-6-2-3-7-18(17)24-22(28)27(16)21/h2-9,16H,10-15H2,1H3,(H,24,28)/t16-/m0/s1
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9.30E+3n/an/an/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Compound is evaluated for binding affinity towards Alpha-2B adrenergic receptor using [3H]prazosin


J Med Chem 41: 3128-41 (1998)


Article DOI: 10.1021/jm970159v
BindingDB Entry DOI: 10.7270/Q2GM880H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%