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PubMed code 22336245

Compile data set for download or QSAR
Found 72 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
Dopamine receptor


(Homo sapiens (Human))
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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4.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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9.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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9.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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13n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363904
PNG
(CHEMBL1946744)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2/t19-,20+,25?
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16n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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22n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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28.6n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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32.1n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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33n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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37n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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44n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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49n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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61n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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73n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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91n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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102n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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110n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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123n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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123n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363900
PNG
(CHEMBL1946258)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H24ClN3OS/c23-17-8-10-18(11-9-17)26-14-4-13-25(15-16-26)12-3-6-20(27)22-24-19-5-1-2-7-21(19)28-22/h1-2,5,7-11H,3-4,6,12-16H2
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126n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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129n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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139n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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152n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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159n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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163n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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168n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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172n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363904
PNG
(CHEMBL1946744)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2/t19-,20+,25?
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180n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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187n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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209n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363898
PNG
(CHEMBL1946255)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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216n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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236n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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259n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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263n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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274n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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317n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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412n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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415n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363898
PNG
(CHEMBL1946255)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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431n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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432n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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495n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5-HT1A receptor expressed in CHO cells after 20 mins by liquid scintillation counting


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363904
PNG
(CHEMBL1946744)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S/c26-18-10-8-17(9-11-18)25(30)15-19-12-13-20(16-25)28(19)14-4-3-6-22(29)24-27-21-5-1-2-7-23(21)31-24/h1-2,5,7-11,19-20,30H,3-4,6,12-16H2/t19-,20+,25?
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508n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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509n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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510n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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567n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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590n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363898
PNG
(CHEMBL1946255)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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665n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363898
PNG
(CHEMBL1946255)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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696n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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751n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363900
PNG
(CHEMBL1946258)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H24ClN3OS/c23-17-8-10-18(11-9-17)26-14-4-13-25(15-16-26)12-3-6-20(27)22-24-19-5-1-2-7-21(19)28-22/h1-2,5,7-11H,3-4,6,12-16H2
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777n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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800n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363898
PNG
(CHEMBL1946255)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C21H24ClN3S/c22-17-8-10-18(11-9-17)25-14-4-13-24(15-16-25)12-3-7-21-23-19-5-1-2-6-20(19)26-21/h1-2,5-6,8-11H,3-4,7,12-16H2
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863n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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1.00E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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1.02E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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1.02E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363900
PNG
(CHEMBL1946258)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H24ClN3OS/c23-17-8-10-18(11-9-17)26-14-4-13-25(15-16-26)12-3-6-20(27)22-24-19-5-1-2-7-21(19)28-22/h1-2,5,7-11H,3-4,6,12-16H2
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1.04E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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1.05E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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1.22E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from rat dopamine D4 receptor


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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1.25E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363897
PNG
(CHEMBL1946254)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C22H26ClN3S/c23-18-9-11-19(12-10-18)26-15-5-14-25(16-17-26)13-4-3-8-22-24-20-6-1-2-7-21(20)27-22/h1-2,6-7,9-12H,3-5,8,13-17H2
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1.42E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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1.72E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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1.98E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D2 receptor expressed in human MES-23.5 cells


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363902
PNG
(CHEMBL1946123)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H27ClFNO/c24-19-8-6-18(7-9-19)23(27)15-21-12-13-22(16-23)26(21)14-2-1-3-17-4-10-20(25)11-5-17/h4-11,21-22,27H,1-3,12-16H2/t21-,22+,23?
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2.43E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363894
PNG
(CHEMBL1946125)
Show SMILES Fc1ccc(SCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2S/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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2.53E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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3.04E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-methylspiperone from dopamine D3 receptor expressed in human MES-23.5


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363893
PNG
(CHEMBL1946124)
Show SMILES Fc1ccc2C(=O)C(CCN3CCCN(CC3)c3ccc(Cl)cc3)Cc2c1
Show InChI InChI=1S/C22H24ClFN2O/c23-18-2-5-20(6-3-18)26-10-1-9-25(12-13-26)11-8-16-14-17-15-19(24)4-7-21(17)22(16)27/h2-7,15-16H,1,8-14H2
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3.78E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363896
PNG
(CHEMBL1946253)
Show SMILES Fc1ccc(CCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H26ClFN2/c22-19-7-11-21(12-8-19)25-15-3-14-24(16-17-25)13-2-1-4-18-5-9-20(23)10-6-18/h5-12H,1-4,13-17H2
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4.10E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50363903
PNG
(CHEMBL1946122)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCOc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C22H25ClFNO2/c23-17-4-2-16(3-5-17)22(26)14-19-8-9-20(15-22)25(19)12-1-13-27-21-10-6-18(24)7-11-21/h2-7,10-11,19-20,26H,1,8-9,12-15H2/t19-,20+,22?
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4.15E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]-Pyrilamine from human histamine H1 receptor by liquid scintillation counter


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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4.62E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363899
PNG
(CHEMBL1946257)
Show SMILES Clc1ccc(cc1)N1CCCN(CCCCC(=O)c2nc3ccccc3s2)CC1
Show InChI InChI=1S/C23H26ClN3OS/c24-18-9-11-19(12-10-18)27-15-5-14-26(16-17-27)13-4-3-7-21(28)23-25-20-6-1-2-8-22(20)29-23/h1-2,6,8-12H,3-5,7,13-17H2
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5.92E+3n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50363895
PNG
(CHEMBL1946126)
Show SMILES Fc1ccc(OCCCN2CCCN(CC2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H24ClFN2O/c21-17-3-7-19(8-4-17)24-13-1-11-23(14-15-24)12-2-16-25-20-9-5-18(22)6-10-20/h3-10H,1-2,11-16H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2C receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50363901
PNG
(CHEMBL1946745)
Show SMILES OC1(C[C@@H]2CC[C@H](C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS/c25-18-10-8-17(9-11-18)24(28)15-19-12-13-20(16-24)27(19)14-4-3-7-23-26-21-5-1-2-6-22(21)29-23/h1-2,5-6,8-11,19-20,28H,3-4,7,12-16H2/t19-,20+,24?
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>1.00E+4n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity at 5-HT2A receptor by radioligand displacement assay


Bioorg Med Chem 20: 1671-8 (2012)


Article DOI: 10.1016/j.bmc.2012.01.022
BindingDB Entry DOI: 10.7270/Q2J38T11
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%