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Compile Data Set for Download or QSAR

Found 97 hits Enz. Inhib. hit(s) with all data for entry = 2506   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21383
PNG
(6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)
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UniChem
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0.130 -58.7n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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0.220 -57.3n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.5 -55.2n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21384
PNG
(6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1...)
Show SMILES CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)
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0.900 -53.7n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
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1.10 -53.2n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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2n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.10n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21395
PNG
(3-(2-(4-(4-Fluorobenzoyl)piperidinol)ethyl)-2,4(1H...)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
Show InChI InChI=1S/C22H22FN3O3/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29/h1-8,16H,9-14H2,(H,24,29)
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3.5n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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3.85n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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4.14 -49.8n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21368
PNG
(6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-t...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3O2/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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6.64 -48.6n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21378
PNG
(6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32)
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7.10 -48.4n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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7.30n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21368
PNG
(6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-t...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3O2/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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8.60n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21371
PNG
(6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-t...)
Show SMILES Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H35N3O2/c30-25-14-6-5-13-24(25)29-19-17-28(18-20-29)16-7-1-2-15-26(31)27-23-12-8-10-21-9-3-4-11-22(21)23/h3-6,9,11,13-14,23,30H,1-2,7-8,10,12,15-20H2,(H,27,31)
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11.4 -47.2n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
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15n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21369
PNG
(6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3O/c1-22-10-4-7-15-26(22)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-25-14-9-12-23-11-5-6-13-24(23)25/h4-7,10-11,13,15,25H,2-3,8-9,12,14,16-21H2,1H3,(H,28,31)
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15.2 -46.4n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21375
PNG
(6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
Show InChI InChI=1S/C27H34N4O/c28-21-23-10-4-6-14-26(23)31-19-17-30(18-20-31)16-7-1-2-15-27(32)29-25-13-8-11-22-9-3-5-12-24(22)25/h3-6,9-10,12,14,25H,1-2,7-8,11,13,15-20H2,(H,29,32)
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16.6n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21371
PNG
(6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-t...)
Show SMILES Oc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H35N3O2/c30-25-14-6-5-13-24(25)29-19-17-28(18-20-29)16-7-1-2-15-26(31)27-23-12-8-10-21-9-3-4-11-22(21)23/h3-6,9,11,13-14,23,30H,1-2,7-8,10,12,15-20H2,(H,27,31)
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24n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21385
PNG
(6-{4-[2-(methylamino)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)29-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,28H,2-3,8-9,11,14,16-21H2,1H3,(H,29,32)
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25.4 -45.1n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21368
PNG
(6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-t...)
Show SMILES COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3O2/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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26.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21389
PNG
(6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34FN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
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29.2n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21384
PNG
(6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1...)
Show SMILES CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)
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32n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21390
PNG
(6-[4-(pyridin-2-yl)piperazin-1-yl]-N-(1,2,3,4-tetr...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccn1)NC1CCCc2ccccc12
Show InChI InChI=1S/C25H34N4O/c30-25(27-23-12-8-10-21-9-3-4-11-22(21)23)14-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-15-26-24/h3-6,9,11,13,15,23H,1-2,7-8,10,12,14,16-20H2,(H,27,30)
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36.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21374
PNG
(6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
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40.1 -43.9n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21375
PNG
(6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1C#N)NC1CCCc2ccccc12
Show InChI InChI=1S/C27H34N4O/c28-21-23-10-4-6-14-26(23)31-19-17-30(18-20-31)16-7-1-2-15-27(32)29-25-13-8-11-22-9-3-5-12-24(22)25/h3-6,9-10,12,14,25H,1-2,7-8,11,13,15-20H2,(H,29,32)
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48.7 -43.4n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21379
PNG
(6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33)
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49.6 -43.4n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21374
PNG
(6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
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51n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21367
PNG
(6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(...)
Show SMILES CSc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3OS/c1-32-26-15-7-6-14-25(26)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-24-13-9-11-22-10-4-5-12-23(22)24/h4-7,10,12,14-15,24H,2-3,8-9,11,13,16-21H2,1H3,(H,28,31)
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52.7n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21380
PNG
(6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C30H43N3O/c1-2-3-12-26-14-7-9-18-29(26)33-23-21-32(22-24-33)20-10-4-5-19-30(34)31-28-17-11-15-25-13-6-8-16-27(25)28/h6-9,13-14,16,18,28H,2-5,10-12,15,17,19-24H2,1H3,(H,31,34)
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60n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21380
PNG
(6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C30H43N3O/c1-2-3-12-26-14-7-9-18-29(26)33-23-21-32(22-24-33)20-10-4-5-19-30(34)31-28-17-11-15-25-13-6-8-16-27(25)28/h6-9,13-14,16,18,28H,2-5,10-12,15,17,19-24H2,1H3,(H,31,34)
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60n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21383
PNG
(6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1-c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C32H39N3O/c36-32(33-30-18-11-15-26-14-6-7-16-28(26)30)20-5-2-10-21-34-22-24-35(25-23-34)31-19-9-8-17-29(31)27-12-3-1-4-13-27/h1,3-4,6-9,12-14,16-17,19,30H,2,5,10-11,15,18,20-25H2,(H,33,36)
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60.9n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21373
PNG
(6-[4-(2-nitrophenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34N4O3/c31-26(27-23-12-8-10-21-9-3-4-11-22(21)23)15-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-14-25(24)30(32)33/h3-6,9,11,13-14,23H,1-2,7-8,10,12,15-20H2,(H,27,31)
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63.3 -42.7n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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65.6 -42.6n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21370
PNG
(6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CC(=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H37N3O2/c1-22(32)24-12-6-7-15-27(24)31-20-18-30(19-21-31)17-8-2-3-16-28(33)29-26-14-9-11-23-10-4-5-13-25(23)26/h4-7,10,12-13,15,26H,2-3,8-9,11,14,16-21H2,1H3,(H,29,33)
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68n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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77.8n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21378
PNG
(6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32)
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79.2n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21374
PNG
(6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Clc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
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96n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21385
PNG
(6-{4-[2-(methylamino)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)29-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,28H,2-3,8-9,11,14,16-21H2,1H3,(H,29,32)
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107n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21384
PNG
(6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1...)
Show SMILES CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)
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112n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21379
PNG
(6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33)
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123n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21372
PNG
(6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydrona...)
Show SMILES O=C(CCCCCN1CCN(CC1)c1ccccc1)NC1CCCc2ccccc12
Show InChI InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
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128n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21389
PNG
(6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Fc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34FN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
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131 -40.9n/an/an/an/an/a7.437



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21385
PNG
(6-{4-[2-(methylamino)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CNc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H38N4O/c1-28-25-13-6-7-15-26(25)31-20-18-30(19-21-31)17-8-2-3-16-27(32)29-24-14-9-11-22-10-4-5-12-23(22)24/h4-7,10,12-13,15,24,28H,2-3,8-9,11,14,16-21H2,1H3,(H,29,32)
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133n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21369
PNG
(6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C27H37N3O/c1-22-10-4-7-15-26(22)30-20-18-29(19-21-30)17-8-2-3-16-27(31)28-25-14-9-12-23-11-5-6-13-24(23)25/h4-7,10-11,13,15,25H,2-3,8-9,12,14,16-21H2,1H3,(H,28,31)
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143n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21381
PNG
(6-{4-[2-(propan-2-yl)phenyl]piperazin-1-yl}-N-(1,2...)
Show SMILES CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
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167n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21379
PNG
(6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-te...)
Show SMILES CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33)
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168n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM21378
PNG
(6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32)
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173n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21373
PNG
(6-[4-(2-nitrophenyl)piperazin-1-yl]-N-(1,2,3,4-tet...)
Show SMILES [O-][N+](=O)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C26H34N4O3/c31-26(27-23-12-8-10-21-9-3-4-11-22(21)23)15-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-14-25(24)30(32)33/h3-6,9,11,13-14,23H,1-2,7-8,10,12,15-20H2,(H,27,31)
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183n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM21391
PNG
(1-oxido-2-{4-[5-(1,2,3,4-tetrahydronaphthalen-1-yl...)
Show SMILES [O-][n+]1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc23)CC1
Show InChI InChI=1S/C25H34N4O2/c30-24(26-23-12-8-10-21-9-3-4-11-22(21)23)13-2-1-6-15-27-17-19-28(20-18-27)25-14-5-7-16-29(25)31/h3-5,7,9,11,14,16,23H,1-2,6,8,10,12-13,15,17-20H2,(H,26,30)
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194n/an/an/an/an/an/an/an/a



Universita degli Studi di Bari



Assay Description
IC50 values for each test compound were determined from nonlinear regression analysis of data collected from ligand binding experiments. The inhibiti...


J Med Chem 50: 4214-21 (2007)


Article DOI: 10.1021/jm070487n
BindingDB Entry DOI: 10.7270/Q20000CJ
More data for this
Ligand-Target Pair
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