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PubMed code 15828846

Compile data set for download or QSAR
Found 47 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
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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PubMed
0.460n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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PubMed
0.830n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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PubMed
0.950n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.30n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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1.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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3.10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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5.20n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50165418
PNG
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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5.60n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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7.5n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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7.90n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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8.10n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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14n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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14n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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23n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50165418
PNG
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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24n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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25n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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54n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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54n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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55n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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67n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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91n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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120n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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120n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50099326
PNG
(8-{(S)-1-Methyl-2-[4-(2,4,5-trifluoro-phenyl)-pipe...)
Show SMILES C[C@@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m0/s1
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>124n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1D adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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140n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Dopamine receptor


(Rattus norvegicus (Rat))
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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160n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for rat Dopamine receptor D3


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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165n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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191n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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255n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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290n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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300n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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360n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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380n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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580n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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620n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50143674
PNG
(8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-5-1-2-6-18(17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-3-4-8-21/h1-2,5-6H,3-4,7-16H2
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630n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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700n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50143664
PNG
(8-{2-[4-(2,5-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(F)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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1.00E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50165418
PNG
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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1.10E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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1.40E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1B adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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2.20E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50143661
PNG
(8-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8...)
Show SMILES Fc1ccc(cc1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H28FN3O2/c22-17-3-5-18(6-4-17)24-12-9-23(10-13-24)11-14-25-19(26)15-21(16-20(25)27)7-1-2-8-21/h3-6H,1-2,7-16H2
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2.20E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Dopamine receptor D2


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50165418
PNG
(8-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c(F)c1
Show InChI InChI=1S/C21H27F2N3O2/c22-16-3-4-18(17(23)13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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3.80E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50165419
PNG
(8-{2-[4-(3,4-Difluoro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Fc1ccc(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27F2N3O2/c22-17-4-3-16(13-18(17)23)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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4.10E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50165417
PNG
(8-{2-[4-(2,4,5-Trifluoro-phenyl)-piperazin-1-yl]-e...)
Show SMILES Fc1cc(F)c(cc1F)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H26F3N3O2/c22-15-11-17(24)18(12-16(15)23)26-8-5-25(6-9-26)7-10-27-19(28)13-21(14-20(27)29)3-1-2-4-21/h11-12H,1-10,13-14H2
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4.40E+3n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50122803
PNG
((SNAP-8719)[4-(4-Amino-6,7-dimethoxy-quinazolin-2-...)
Show SMILES C[C@H](CN1CCN(CC1)c1cc(F)c(F)cc1F)N1C(=O)CC2(CCCC2)CC1=O
Show InChI InChI=1S/C22H28F3N3O2/c1-15(28-20(29)12-22(13-21(28)30)4-2-3-5-22)14-26-6-8-27(9-7-26)19-11-17(24)16(23)10-18(19)25/h10-11,15H,2-9,12-14H2,1H3/t15-/m1/s1
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1.40E+4n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human Alpha-1A adrenergic receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%