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Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'nelson' and Initial = 'sl'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85093
PNG
(CAS_3853 | CHEMBL267014 | CHEMBL555670 | L 745,870...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2c[nH]c3ncccc23)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-3-5-16(6-4-15)23-10-8-22(9-11-23)13-14-12-21-18-17(14)2-1-7-20-18/h1-7,12H,8-11,13H2,(H,20,21)
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0.400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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1.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50150141
PNG
(2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(cc1C)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-17(13-16(15)2)24-11-9-23(10-12-24)14-20-21-18-5-3-4-6-19(18)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50102712
PNG
(2-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-pyraz...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2cc3ccccn3n2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-15-4-6-17(7-5-15)22-11-9-21(10-12-22)14-16-13-18-3-1-2-8-23(18)20-16/h1-8,13H,9-12,14H2
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145073
PNG
(5-Fluoro-2-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1...)
Show SMILES Fc1ccc2[nH]c(CN3CCN(CC3)c3ccccn3)cc2c1
Show InChI InChI=1S/C18H19FN4/c19-15-4-5-17-14(11-15)12-16(21-17)13-22-7-9-23(10-8-22)18-3-1-2-6-20-18/h1-6,11-12,21H,7-10,13H2
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human D4.4 receptor


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179735
PNG
(4-(3,4-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-2-1-7(5-9(8)13)6-17-4-3-10(14)11(15)16/h1-2,5,10H,3-4,6,14H2,(H,15,16)
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50150143
PNG
(2-[4-(2,5-Dimethyl-phenyl)-piperazin-1-ylmethyl]-1...)
Show SMILES Cc1ccc(C)c(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C20H24N4/c1-15-7-8-16(2)19(13-15)24-11-9-23(10-12-24)14-20-21-17-5-3-4-6-18(17)22-20/h3-8,13H,9-12,14H2,1-2H3,(H,21,22)
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3.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity tested on HEK293 cells co-transfected with human D4.4 receptor using [3H]spiperone as a radioligand in FLIPR assay


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145078
PNG
(2-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)
Show SMILES COc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-18-9-5-4-8-17(18)23-12-10-22(11-13-23)14-19-20-15-6-2-3-7-16(15)21-19/h2-9H,10-14H2,1H3,(H,20,21)
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179703
PNG
(4-(4-chlorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179700
PNG
(4-(4-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-3-1-8(2-4-9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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4.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179710
PNG
(4-(2,3-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cccc(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-3-1-2-7(10(8)13)6-17-5-4-9(14)11(15)16/h1-3,9H,4-6,14H2,(H,15,16)
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5.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179732
PNG
(2-amino-4-(2-methyl-benzylsulfanyl)-butyric acid |...)
Show SMILES Cc1ccccc1CSCCC(N)C(O)=O
Show InChI InChI=1S/C12H17NO2S/c1-9-4-2-3-5-10(9)8-16-7-6-11(13)12(14)15/h2-5,11H,6-8,13H2,1H3,(H,14,15)
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200037
PNG
(2-(3',4',-5',6'-tetrahydro-2'H-[2,4'-bipyridine]-1...)
Show SMILES Cc1cccc(NC(=O)CN2CCC(CC2)c2ccccn2)c1
Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
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8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145081
PNG
(2-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccccc1N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-1-4-8-17(14)23-11-9-22(10-12-23)13-18-20-15-6-2-3-7-16(15)21-18/h1-8H,9-13H2,(H,20,21)
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8.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31 |r|
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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8.90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145076
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-4-3-5-15(12-14)23-10-8-22(9-11-23)13-18-20-16-6-1-2-7-17(16)21-18/h1-7,12H,8-11,13H2,(H,20,21)
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9.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145076
PNG
(2-[4-(3-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1cccc(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-4-3-5-15(12-14)23-10-8-22(9-11-23)13-18-20-16-6-1-2-7-17(16)21-18/h1-7,12H,8-11,13H2,(H,20,21)
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9.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145084
PNG
(2-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21)
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14.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145084
PNG
(2-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Clc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19ClN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21)
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14.8n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200029
PNG
(6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1...)
Show SMILES Oc1ccc(nc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
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17n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]A369508 from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179701
PNG
(4-(2,3,4-trichlorobenzylthio)-2-aminobutanoic acid...)
Show SMILES NC(CCSCc1ccc(Cl)c(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C11H12Cl3NO2S/c12-7-2-1-6(9(13)10(7)14)5-18-4-3-8(15)11(16)17/h1-2,8H,3-5,15H2,(H,16,17)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179689
PNG
(4-(3,5-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cc(Cl)cc(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-3-7(4-9(13)5-8)6-17-2-1-10(14)11(15)16/h3-5,10H,1-2,6,14H2,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179707
PNG
(4-(3-fluorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C11H14FNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179711
PNG
(4-(2-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-4-2-1-3-8(9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145072
PNG
(2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)
Show SMILES COc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-19-20-17-4-2-3-5-18(17)21-19/h2-9H,10-14H2,1H3,(H,20,21)
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20.4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179736
PNG
(4-(2,5-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cc(Cl)ccc1Cl)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-1-2-9(13)7(5-8)6-17-4-3-10(14)11(15)16/h1-2,5,10H,3-4,6,14H2,(H,15,16)
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21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179722
PNG
(4-(3-chlorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H14ClNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145083
PNG
(2-[4-(3-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-b...)
Show SMILES COc1cccc(c1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C19H22N4O/c1-24-16-6-4-5-15(13-16)23-11-9-22(10-12-23)14-19-20-17-7-2-3-8-18(17)21-19/h2-8,13H,9-12,14H2,1H3,(H,20,21)
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26.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50200028
PNG
(2-methoxy-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipy...)
Show SMILES COc1ccccc1C1CCN(CNC(=O)c2cccc(C)c2)CC1
Show InChI InChI=1S/C21H26N2O2/c1-16-6-5-7-18(14-16)21(24)22-15-23-12-10-17(11-13-23)19-8-3-4-9-20(19)25-2/h3-9,14,17H,10-13,15H2,1-2H3,(H,22,24)
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27n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]7-OH-PIPAT from human D2L receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179713
PNG
((S)-2-amino-4-(benzylthio)butanoic acid | CHEMBL38...)
Show SMILES N[C@@H](CCSCc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H15NO2S/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179727
PNG
(4-(3-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179715
PNG
(4-(2-(trifluoromethyl)benzylthio)-2-aminobutanoic ...)
Show SMILES NC(CCSCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H14F3NO2S/c13-12(14,15)9-4-2-1-3-8(9)7-19-6-5-10(16)11(17)18/h1-4,10H,5-7,16H2,(H,17,18)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50200043
PNG
(3-methyl-N-(3',4',5',6'-tetrahydro-2'H-[2,4'-bipyr...)
Show SMILES Cc1cccc(c1)C(=O)NCN1CCC(CC1)c1ccccn1
Show InChI InChI=1S/C19H23N3O/c1-15-5-4-6-17(13-15)19(23)21-14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23)
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32n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human D4 receptor expressed in HEK293 cell membrane


J Med Chem 49: 7450-65 (2006)


Article DOI: 10.1021/jm060662k
BindingDB Entry DOI: 10.7270/Q25X28MM
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145079
PNG
(2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazol...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)22-12-10-21(11-13-22)14-18-19-16-8-4-5-9-17(16)20-18/h1-9H,10-14H2,(H,19,20)
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33n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity tested against D4.2 receptor in Chinese hamster ovary cell line (CHO cells) using [3H]spiperone as a radioligand


J Med Chem 47: 3853-64 (2004)


Article DOI: 10.1021/jm030505a
BindingDB Entry DOI: 10.7270/Q24B3225
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179690
PNG
(4-(3-nitrobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14N2O4S/c12-10(11(14)15)4-5-18-7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179696
PNG
(2-amino-2-(3-bromophenyl)acetic acid | CHEMBL38237...)
Show SMILES NC(C(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145079
PNG
(2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazol...)
Show SMILES C(N1CCN(CC1)c1ccccc1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)22-12-10-21(11-13-22)14-18-19-16-8-4-5-9-17(16)20-18/h1-9H,10-14H2,(H,19,20)
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52n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179731
PNG
(2-amino-2-(3-chlorophenyl)acetic acid | CHEMBL2046...)
Show SMILES NC(C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179712
PNG
((S)-2-amino-2-cyclohexylacetic acid | CHEMBL382372...)
Show SMILES N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
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60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179718
PNG
(CHEMBL380671 | rac-2-amino-5-cyclohexylpentanoic a...)
Show SMILES NC(CCCC1CCCCC1)C(O)=O
Show InChI InChI=1S/C11H21NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H,13,14)
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60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179737
PNG
(4-(3,4-dimethylbenzylthio)-2-aminobutanoic acid | ...)
Show SMILES Cc1ccc(CSCCC(N)C(O)=O)cc1C
Show InChI InChI=1S/C13H19NO2S/c1-9-3-4-11(7-10(9)2)8-17-6-5-12(14)13(15)16/h3-4,7,12H,5-6,8,14H2,1-2H3,(H,15,16)
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66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179698
PNG
(4-(4-tert-butylbenzylthio)-2-aminobutanoic acid | ...)
Show SMILES CC(C)(C)c1ccc(CSCCC(N)C(O)=O)cc1
Show InChI InChI=1S/C15H23NO2S/c1-15(2,3)12-6-4-11(5-7-12)10-19-9-8-13(16)14(17)18/h4-7,13H,8-10,16H2,1-3H3,(H,17,18)
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79n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50145080
PNG
(2-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-be...)
Show SMILES Fc1ccc(cc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1
Show InChI InChI=1S/C18H19FN4/c19-14-5-7-15(8-6-14)23-11-9-22(10-12-23)13-18-20-16-3-1-2-4-17(16)21-18/h1-8H,9-13H2,(H,20,21)
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79.6n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human Dopamine receptor D4 by [3H]-spiperone displacement.


J Med Chem 47: 2348-55 (2004)


Article DOI: 10.1021/jm0305669
BindingDB Entry DOI: 10.7270/Q2M61M03
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179725
PNG
((S)-2-amino-3-cyclohexylpropanoic acid | 2-AMINO-3...)
Show SMILES N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
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90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179717
PNG
(2-amino-2-(2,3-difluorophenyl)acetic acid | CHEMBL...)
Show SMILES NC(C(O)=O)c1cccc(F)c1F
Show InChI InChI=1S/C8H7F2NO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
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96n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179728
PNG
(4-(2,4-bis(trifluoromethyl)benzylthio)-2-aminobuta...)
Show SMILES NC(CCSCc1ccc(cc1C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C13H13F6NO2S/c14-12(15,16)8-2-1-7(9(5-8)13(17,18)19)6-23-4-3-10(20)11(21)22/h1-2,5,10H,3-4,6,20H2,(H,21,22)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179693
PNG
((S)-2-amino-4-(ethylthio)butanoic acid | 2-AMINO-4...)
Show SMILES CCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179697
PNG
((S)-2-amino-3-(benzylthio)propanoic acid | CHEMBL2...)
Show SMILES N[C@H](CSCc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
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