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Compile Data Set for Download or QSAR

Found 301 hits with Last Name = 'pullar' and Initial = 'ia'   
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053067
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-phenyl-vinyl)-pyrr...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccccc1
Show InChI InChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12+,14-/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053071
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-3-methyl...)
Show SMILES Cc1cc(ccc1F)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H18FNO4/c1-8-5-10(3-4-13(8)17)9(2)12-7-18-15(16(21)22)11(12)6-14(19)20/h3-5,11-12,15,18H,2,6-7H2,1H3,(H,19,20)(H,21,22)/t11-,12+,15-/m0/s1
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1.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053075
PNG
((2S,3S,4S)-4-(1-Biphenyl-3-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)15-8-5-9-16(10-15)14-6-3-2-4-7-14/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053083
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-m-tolyl-vinyl)-pyr...)
Show SMILES Cc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-4-3-5-11(6-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053080
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3,4-dimethyl-phen...)
Show SMILES Cc1ccc(cc1C)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-9-4-5-12(6-10(9)2)11(3)14-8-18-16(17(21)22)13(14)7-15(19)20/h4-6,13-14,16,18H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053088
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-p-tolyl-vinyl)-pyr...)
Show SMILES Cc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-3-5-11(6-4-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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2.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053087
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(F)cc1
Show InChI InChI=1S/C15H16FNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053064
PNG
((2S,3S,4S)-4-[1-(4-Butoxy-phenyl)-vinyl]-3-carboxy...)
Show SMILES CCCCOc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO5/c1-3-4-9-25-14-7-5-13(6-8-14)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h5-8,15-16,18,20H,2-4,9-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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2.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053063
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3-methoxy-phenyl)...)
Show SMILES COc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-4-3-5-11(6-10)22-2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053059
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-propyl-phenyl)-...)
Show SMILES CCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H23NO4/c1-3-4-12-5-7-13(8-6-12)11(2)15-10-19-17(18(22)23)14(15)9-16(20)21/h5-8,14-15,17,19H,2-4,9-10H2,1H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053068
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-isopropenyl-phe...)
Show SMILES CC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C18H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)15-9-19-17(18(22)23)14(15)8-16(20)21/h4-7,14-15,17,19H,1,3,8-9H2,2H3,(H,20,21)(H,22,23)/t14-,15+,17-/m0/s1
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3.60n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50002369
PNG
((2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methyleth...)
Show SMILES CC(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/s2
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3.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053073
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO5/c1-9(10-3-5-11(22-2)6-4-10)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,1,7-8H2,2H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053061
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-chloro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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3.90n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053082
PNG
((2S,3S,4S)-4-[1-(4-Butyl-phenyl)-vinyl]-3-carboxym...)
Show SMILES CCCCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-3-4-5-13-6-8-14(9-7-13)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h6-9,15-16,18,20H,2-5,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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4.80n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053065
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-phenethyloxy-ph...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(OCCc2ccccc2)cc1
Show InChI InChI=1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-7-9-18(10-8-17)29-12-11-16-5-3-2-4-6-16/h2-10,19-20,22,24H,1,11-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
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6.20n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053089
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-ethyl-phenyl)-v...)
Show SMILES CCc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-3-11-4-6-12(7-5-11)10(2)14-9-18-16(17(21)22)13(14)8-15(19)20/h4-7,13-14,16,18H,2-3,8-9H2,1H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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7.70n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053070
PNG
((2S,3S,4S)-3-Carboxymethyl-4-{1-[4-(1-methylene-pr...)
Show SMILES CCC(=C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H23NO4/c1-4-11(2)13-5-7-14(8-6-13)12(3)16-10-20-18(19(23)24)15(16)9-17(21)22/h5-8,15-16,18,20H,2-4,9-10H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053076
PNG
((2S,3S,4S)-4-(1-Biphenyl-4-yl-vinyl)-3-carboxymeth...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H21NO4/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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9.10n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053062
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3,5-dimethyl-phen...)
Show SMILES Cc1cc(C)cc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C17H21NO4/c1-9-4-10(2)6-12(5-9)11(3)14-8-18-16(17(21)22)13(14)7-15(19)20/h4-6,13-14,16,18H,3,7-8H2,1-2H3,(H,19,20)(H,21,22)/t13-,14+,16-/m0/s1
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9.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053074
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-phenoxy-phenyl)...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C21H21NO5/c1-13(18-12-22-20(21(25)26)17(18)11-19(23)24)14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-10,17-18,20,22H,1,11-12H2,(H,23,24)(H,25,26)/t17-,18+,20-/m0/s1
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11.9n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053077
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(3-phenethyloxy-ph...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1cccc(OCCc2ccccc2)c1
Show InChI InChI=1S/C23H25NO5/c1-15(20-14-24-22(23(27)28)19(20)13-21(25)26)17-8-5-9-18(12-17)29-11-10-16-6-3-2-4-7-16/h2-9,12,19-20,22,24H,1,10-11,13-14H2,(H,25,26)(H,27,28)/t19-,20+,22-/m0/s1
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16n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053058
PNG
((4E,6E)-(R)-7-[4,5-Bis-(1-hydroxy-vinyl)-pyrrolidi...)
Show SMILES C[C@H](C=CC=C(C)C1CNC(C1C(C)=O)C(C)=O)C(C)=O
Show InChI InChI=1S/C17H25NO3/c1-10(12(3)19)7-6-8-11(2)15-9-18-17(14(5)21)16(15)13(4)20/h6-8,10,15-18H,9H2,1-5H3/b7-6+,11-8+/t10-,15?,16?,17?/m1/s1
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18.3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053060
PNG
((2S,3S,4S)-4-[1-(4-tert-Butyl-phenyl)-vinyl]-3-car...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO4/c1-11(12-5-7-13(8-6-12)19(2,3)4)15-10-20-17(18(23)24)14(15)9-16(21)22/h5-8,14-15,17,20H,1,9-10H2,2-4H3,(H,21,22)(H,23,24)/t14-,15+,17-/m0/s1
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18.5n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Ionotropic glutamate receptor kainate 2/5


(Rattus norvegicus)
BDBM50053079
PNG
((2S,3S,4S)-4-[1-(3-Butoxy-phenyl)-vinyl]-3-carboxy...)
Show SMILES CCCCOc1cccc(c1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C19H25NO5/c1-3-4-8-25-14-7-5-6-13(9-14)12(2)16-11-20-18(19(23)24)15(16)10-17(21)22/h5-7,9,15-16,18,20H,2-4,8,10-11H2,1H3,(H,21,22)(H,23,24)/t15-,16+,18-/m0/s1
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23.3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at rat forebrain ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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))
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))
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 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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053067
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-phenyl-vinyl)-pyrr...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccccc1
Show InChI InChI=1S/C15H17NO4/c1-9(10-5-3-2-4-6-10)12-8-16-14(15(19)20)11(12)7-13(17)18/h2-6,11-12,14,16H,1,7-8H2,(H,17,18)(H,19,20)/t11-,12+,14-/m0/s1
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29.8n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
More data for this
Ligand-Target Pair
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053061
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-chloro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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31.7n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053087
PNG
((2S,3S,4S)-3-Carboxymethyl-4-[1-(4-fluoro-phenyl)-...)
Show SMILES OC(=O)C[C@H]1[C@H](CN[C@@H]1C(O)=O)C(=C)c1ccc(F)cc1
Show InChI InChI=1S/C15H16FNO4/c1-8(9-2-4-10(16)5-3-9)12-7-17-14(15(20)21)11(12)6-13(18)19/h2-5,11-12,14,17H,1,6-7H2,(H,18,19)(H,20,21)/t11-,12+,14-/m0/s1
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38.4n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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
Glutamate receptor ionotropic, kainate 2


(Homo sapiens (Human))
BDBM50053088
PNG
((2S,3S,4S)-3-Carboxymethyl-4-(1-p-tolyl-vinyl)-pyr...)
Show SMILES Cc1ccc(cc1)C(=C)[C@H]1CN[C@@H]([C@H]1CC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19NO4/c1-9-3-5-11(6-4-9)10(2)13-8-17-15(16(20)21)12(13)7-14(18)19/h3-6,12-13,15,17H,2,7-8H2,1H3,(H,18,19)(H,20,21)/t12-,13+,15-/m0/s1
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41.1n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of [3H]-kainate binding at ionotropic glutamate receptor kainate 2


J Med Chem 39: 3617-24 (1996)


Article DOI: 10.1021/jm960155a
BindingDB Entry DOI: 10.7270/Q2WW7GRZ
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 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))
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
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