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PubMed code 27364609

Compile Data Set for Download or QSAR

Found 230 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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183266
PNG
(Anquil | BENPERIDOL | Benperidol | Benquil | MCN-J...)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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PubMed
0.0270n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D2 receptor by radioligand displacement assay


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183266
PNG
(Anquil | BENPERIDOL | Benperidol | Benquil | MCN-J...)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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0.0660n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human dopamine D4 receptor by radioligand displacement assay


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183266
PNG
(Anquil | BENPERIDOL | Benperidol | Benquil | MCN-J...)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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0.290n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [125I]-IABN from human recombinant dopamine D3 receptor expressed in HEK293 cell membrane incubated for 60 mins filtration binding as...


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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0.320n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50183266
PNG
(Anquil | BENPERIDOL | Benperidol | Benquil | MCN-J...)
Show SMILES Oc1nc2ccccc2n1C1CCN(CCCC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)
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1.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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1.20n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Pyrilamine from human recombinant histamine H1 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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1.40n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D4 receptor (unknown origin)


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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1.5n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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1.60n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50183264
PNG
(CHEMBL3818881)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S.ClH/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;1H
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4.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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4.70n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50185473
PNG
(4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2....)
Show SMILES OC1(CC2CCC(C1)N2CCCC(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClFNO2/c24-18-7-5-17(6-8-18)23(28)14-20-11-12-21(15-23)26(20)13-1-2-22(27)16-3-9-19(25)10-4-16/h3-10,20-21,28H,1-2,11-15H2
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5.10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Binding affinity to dopamine D3 receptor (unknown origin)


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183067
PNG
(CHEMBL3818935)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183067
PNG
(CHEMBL3818935)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183263
PNG
(CHEMBL3819434)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS.ClH/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;1H
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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 human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183263
PNG
(CHEMBL3819434)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS.ClH/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;1H
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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 human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183264
PNG
(CHEMBL3818881)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S.ClH/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;1H
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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 human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183264
PNG
(CHEMBL3818881)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCC(=O)c1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H27ClN2O2S.ClH/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;1H
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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 human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183073
PNG
(CHEMBL3818805)
Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)
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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 human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50183073
PNG
(CHEMBL3818805)
Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)
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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 human recombinant dopamine D4 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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17n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human recombinant 5HT1A receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting metho...


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183066
PNG
(CHEMBL3818124)
Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183066
PNG
(CHEMBL3818124)
Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50384962
PNG
(CHEMBL2037526)
Show SMILES O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C25H28N4O2S/c30-21(23-27-20-10-4-5-12-22(20)32-23)11-6-7-15-28-16-13-25(14-17-28)24(31)26-18-29(25)19-8-2-1-3-9-19/h1-5,8-10,12H,6-7,11,13-18H2,(H,26,31)
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50384962
PNG
(CHEMBL2037526)
Show SMILES O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C25H28N4O2S/c30-21(23-27-20-10-4-5-12-22(20)32-23)11-6-7-15-28-16-13-25(14-17-28)24(31)26-18-29(25)19-8-2-1-3-9-19/h1-5,8-10,12H,6-7,11,13-18H2,(H,26,31)
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18n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183067
PNG
(CHEMBL3818935)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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21n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183067
PNG
(CHEMBL3818935)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C24H28N4O2/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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21n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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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 human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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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 human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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24n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50384962
PNG
(CHEMBL2037526)
Show SMILES O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C25H28N4O2S/c30-21(23-27-20-10-4-5-12-22(20)32-23)11-6-7-15-28-16-13-25(14-17-28)24(31)26-18-29(25)19-8-2-1-3-9-19/h1-5,8-10,12H,6-7,11,13-18H2,(H,26,31)
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50183073
PNG
(CHEMBL3818805)
Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(Homo sapiens (human))
BDBM50183073
PNG
(CHEMBL3818805)
Show SMILES Clc1ccc2n(C3CCN(CCCCc4c[nH]c5ccccc45)CC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H27ClN4O/c25-18-8-9-23-22(15-18)27-24(30)29(23)19-10-13-28(14-11-19)12-4-3-5-17-16-26-21-7-2-1-6-20(17)21/h1-2,6-9,15-16,19,26H,3-5,10-14H2,(H,27,30)
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25n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Citalopram from human recombinant SERT incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50384962
PNG
(CHEMBL2037526)
Show SMILES O=C(CCCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1nc2ccccc2s1
Show InChI InChI=1S/C25H28N4O2S/c30-21(23-27-20-10-4-5-12-22(20)32-23)11-6-7-15-28-16-13-25(14-17-28)24(31)26-18-29(25)19-8-2-1-3-9-19/h1-5,8-10,12H,6-7,11,13-18H2,(H,26,31)
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26n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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28n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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28n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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31n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183070
PNG
(CHEMBL3818478)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2c[nH]c3ccccc23)CC1
Show InChI InChI=1S/C25H30N4O/c30-24-25(29(19-27-24)21-9-2-1-3-10-21)13-16-28(17-14-25)15-7-6-8-20-18-26-23-12-5-4-11-22(20)23/h1-5,9-12,18,26H,6-8,13-17,19H2,(H,27,30)
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183259
PNG
(CHEMBL3818799)
Show SMILES Fc1ccc(cc1)C(N1CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3S/c29-23-12-8-21(9-13-23)28(22-10-14-24(30)15-11-22)33-19-17-32(18-20-33)16-4-3-7-27-31-25-5-1-2-6-26(25)34-27/h1-2,5-6,8-15,28H,3-4,7,16-20H2
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183265
PNG
(CHEMBL3819567)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CCCCc2nc3ccccc3s2)CC1
Show InChI InChI=1S/C24H28N4OS/c29-23-24(28(18-25-23)19-8-2-1-3-9-19)13-16-27(17-14-24)15-7-6-12-22-26-20-10-4-5-11-21(20)30-22/h1-5,8-11H,6-7,12-18H2,(H,25,29)
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32n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Dopamine receptor


(Homo sapiens (Human))
BDBM50183259
PNG
(CHEMBL3818799)
Show SMILES Fc1ccc(cc1)C(N1CCN(CCCCc2nc3ccccc3s2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H29F2N3S/c29-23-12-8-21(9-13-23)28(22-10-14-24(30)15-11-22)33-19-17-32(18-20-33)16-4-3-7-27-31-25-5-1-2-6-26(25)34-27/h1-2,5-6,8-15,28H,3-4,7,16-20H2
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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 human recombinant dopamine D3 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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34n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50183261
PNG
(CHEMBL3819642)
Show SMILES Cl.OC1(CCN(CCCc2nc3ccccc3s2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClN2OS.ClH/c22-17-9-7-16(8-10-17)21(25)11-14-24(15-12-21)13-3-6-20-23-18-4-1-2-5-19(18)26-20;/h1-2,4-5,7-10,25H,3,6,11-15H2;1H
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34n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human recombinant 5HT1A receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50183066
PNG
(CHEMBL3818124)
Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)
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36n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50183066
PNG
(CHEMBL3818124)
Show SMILES Clc1ccc2sc(CCCCN3CCC4(CC3)N(CNC4=O)c3ccccc3)nc2c1
Show InChI InChI=1S/C24H27ClN4OS/c25-18-9-10-21-20(16-18)27-22(31-21)8-4-5-13-28-14-11-24(12-15-28)23(30)26-17-29(24)19-6-2-1-3-7-19/h1-3,6-7,9-10,16H,4-5,8,11-15,17H2,(H,26,30)
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36n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50183263
PNG
(CHEMBL3819434)
Show SMILES Cl.OC1(CC2CCC(C1)N2CCCCc1nc2ccccc2s1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClN2OS.ClH/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;1H
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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 human recombinant dopamine D2 receptor incubated for 1.5 hrs by microbeta scintillation counting method


Bioorg Med Chem 24: 3671-9 (2016)


Article DOI: 10.1016/j.bmc.2016.06.011
BindingDB Entry DOI: 10.7270/Q2W66NPV
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%