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Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'hotten' and Initial = 'tm'   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132686
PNG
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132687
PNG
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
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2.80n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132678
PNG
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1
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4.40n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132684
PNG
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)
Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132677
PNG
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1
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5.80n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132683
PNG
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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6n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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7n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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7.20n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-NE re-uptake into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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9n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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10n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132680
PNG
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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12n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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12n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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15n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
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18n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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22n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132686
PNG
(CHEMBL326466 | Dimethyl-((2S,3S)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m0/s1
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25n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132684
PNG
(CHEMBL331799 | Methyl-(3-naphthalen-2-yl-bicyclo[2...)
Show SMILES CNCC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3
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25n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of DA re-uptake into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132682
PNG
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)
Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1
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25n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro ability of compound to inhibit 5-HT re-uptake of radiolabelled [3H]-tritium trasmitter into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132681
PNG
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C
Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1
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25n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132677
PNG
(CHEMBL109517 | Dimethyl-((2R,3R)-3-naphthalen-2-yl...)
Show SMILES CN(C)C[C@@H]1C2CCC(C2)[C@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3/t16?,18?,19-,20-/m1/s1
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38n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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41n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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44n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132683
PNG
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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47n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132683
PNG
(6-((2S,3S)-3-Dimethylaminomethyl-bicyclo[2.2.1]hep...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(O)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20,22H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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50n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132687
PNG
(CHEMBL324269 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CN(C)C[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C20H24FN/c1-22(2)12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(21)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-20H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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50n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132682
PNG
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)
Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1
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51n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50132688
PNG
(CHEMBL323447 | Dimethyl-(3-naphthalen-1-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1cccc2ccccc12
Show InChI InChI=1/C20H25N/c1-21(2)13-19-15-10-11-16(12-15)20(19)18-9-5-7-14-6-3-4-8-17(14)18/h3-9,15-16,19-20H,10-13H2,1-2H3
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52n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-citalopram from Serotonin transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50026952
PNG
((cis) [3-(3,4-Dichloro-phenyl)-bicyclo[2.2.2]oct-2...)
Show SMILES CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H23Cl2N/c1-20(2)10-14-11-3-5-12(6-4-11)17(14)13-7-8-15(18)16(19)9-13/h7-9,11-12,14,17H,3-6,10H2,1-2H3/t11?,12?,14-,17-/m1/s1
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57n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132680
PNG
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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60n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132681
PNG
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C
Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1
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64n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132682
PNG
(CHEMBL113136 | [(2S,3S)-3-(3-Chloro-phenyl)-bicycl...)
Show SMILES CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1
Show InChI InChI=1S/C17H24ClN/c1-19(2)11-16-12-6-8-13(9-7-12)17(16)14-4-3-5-15(18)10-14/h3-5,10,12-13,16-17H,6-9,11H2,1-2H3/t12?,13?,16-,17+/m0/s1
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64n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of DA re-uptake into synaptosome


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50289291
PNG
(2-Hydroxy-methylolanzapine | CHEMBL100454 | [10-(4...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(CO)cc12
Show InChI InChI=1S/C17H20N4OS/c1-20-6-8-21(9-7-20)16-13-10-12(11-22)23-17(13)19-15-5-3-2-4-14(15)18-16/h2-5,10,19,22H,6-9,11H2,1H3
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66n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132681
PNG
(CHEMBL323678 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H]1C2CCC(C2)[C@@H]1CN(C)C
Show InChI InChI=1S/C21H27NO/c1-22(2)13-20-16-5-7-18(11-16)21(20)17-6-4-15-12-19(23-3)9-8-14(15)10-17/h4,6,8-10,12,16,18,20-21H,5,7,11,13H2,1-3H3/t16?,18?,20-,21-/m0/s1
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68n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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68n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against muscarinic neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50132678
PNG
(CHEMBL432022 | [(2S,3S)-3-(6-Fluoro-naphthalen-2-y...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C19H22FN/c1-21-11-18-14-3-5-16(9-14)19(18)15-4-2-13-10-17(20)7-6-12(13)8-15/h2,4,6-8,10,14,16,18-19,21H,3,5,9,11H2,1H3/t14?,16?,18-,19-/m0/s1
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72n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35,428 from Dopamine transporter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50240701
PNG
(2-Methyl-10-piperazin-1-yl-4H-3-thia-4,9-diaza-ben...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CCNCC2)s1
Show InChI InChI=1S/C16H18N4S/c1-11-10-12-15(20-8-6-17-7-9-20)18-13-4-2-3-5-14(13)19-16(12)21-11/h2-5,10,17,19H,6-9H2,1H3
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against Alpha-1 adrenergic receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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87n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against histamine H1 neuronal receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132679
PNG
(CHEMBL111128 | Methyl-((2S,3S)-3-naphthalen-2-yl-b...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2ccccc2c1
Show InChI InChI=1S/C19H23N/c1-20-12-18-15-7-9-17(11-15)19(18)16-8-6-13-4-2-3-5-14(13)10-16/h2-6,8,10,15,17-20H,7,9,11-12H2,1H3/t15?,17?,18-,19-/m0/s1
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99n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Compound was tested for its ability to displace [3H]-citalopram from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132685
PNG
(CHEMBL109571 | Dimethyl-(3-naphthalen-2-yl-bicyclo...)
Show SMILES CN(C)CC1C2CCC(C2)C1c1ccc2ccccc2c1
Show InChI InChI=1/C20H25N/c1-21(2)13-19-16-8-10-18(12-16)20(19)17-9-7-14-5-3-4-6-15(14)11-17/h3-7,9,11,16,18-20H,8,10,12-13H2,1-2H3
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111n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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112n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal 5-hydroxytryptamine 2 receptor


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50289292
PNG
(2-Methyl-10-(4-methyl-4-oxy-piperazin-1-yl)-4H-3-t...)
Show SMILES Cc1cc2c(Nc3ccccc3N=C2N2CC[N+](C)([O-])CC2)s1
Show InChI InChI=1S/C17H20N4OS/c1-12-11-13-16(20-7-9-21(2,22)10-8-20)18-14-5-3-4-6-15(14)19-17(13)23-12/h3-6,11,19H,7-10H2,1-2H3
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against neuronal Dopamine receptor D2


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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119n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity of compound against dopamine neuronal Dopamine receptor D1


Bioorg Med Chem Lett 7: 25-30 (1997)


Article DOI: 10.1016/S0960-894X(96)00567-7
BindingDB Entry DOI: 10.7270/Q2KD1XXP
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50132680
PNG
(CHEMBL322348 | [(2S,3S)-3-(6-Methoxy-naphthalen-2-...)
Show SMILES CNC[C@H]1C2CCC(C2)[C@@H]1c1ccc2cc(OC)ccc2c1
Show InChI InChI=1S/C20H25NO/c1-21-12-19-15-4-6-17(10-15)20(19)16-5-3-14-11-18(22-2)8-7-13(14)9-16/h3,5,7-9,11,15,17,19-21H,4,6,10,12H2,1-2H3/t15?,17?,19-,20-/m0/s1
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120n/an/an/an/an/an/an/an/a



Lilly Research Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]-Nisoxetine from norepinephrin transpoter


Bioorg Med Chem Lett 13: 3277-80 (2003)


Article DOI: 10.1016/s0960-894x(03)00660-7
BindingDB Entry DOI: 10.7270/Q29W0DXF
More data for this
Ligand-Target Pair
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