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Compile Data Set for Download or QSAR

Found 658 hits of ki data for polymerid = 10755,50001974,50003401   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572311
PNG
(CHEMBL4847725)
Show SMILES CCC[C@@H](N1CCN[C@H](C)C1)c1nc2ccncc2c(=O)n1CC |r|
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6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572290
PNG
(CHEMBL4847873)
Show SMILES CCC[C@@H](N1C[C@H](C)N[C@H](C)C1)c1nc2ccc(Br)cc2c(=O)n1CC |r|
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50410554
PNG
(CHEMBL5273513)
Show SMILES Cc1ccc(NC(=O)c2[nH]c(nc2CCC23CC4CC(CC(C4)C2)C3)-c2ccccc2C)cc1C(O)=O |TLB:18:19:23:17.16.22,22:21:24:17.16.18,22:17:24:21.23.20,THB:18:17:23:19.24.20,20:19:16:21.23.22,20:21:16:19.24.18|
Show InChI InChI=1S/C31H35N3O3/c1-18-5-3-4-6-24(18)28-33-26(9-10-31-15-20-11-21(16-31)13-22(12-20)17-31)27(34-28)29(35)32-23-8-7-19(2)25(14-23)30(36)37/h3-8,14,20-22H,9-13,15-17H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against dihydrofolate reductase in rat liver


Citation and Details
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50557449
PNG
(CHEMBL4744000)
Show SMILES [H][C@@]12CCCN1c1nc(NCC)ncc1C(=O)N(C2)c1cccc(c1)-c1noc(C)n1 |r|
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11n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572295
PNG
(CHEMBL4851929)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2cc(Br)ccc2c(=O)n1CC |r|
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15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572303
PNG
(CHEMBL4847073)
Show SMILES CCC[C@@H](N1CCN[C@H](C)C1)c1nc2ccc(Br)cc2c(=O)n1CC |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572289
PNG
(CHEMBL4859215)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2ccc(Br)cc2c(=O)n1CC |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572296
PNG
(CHEMBL4868703)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2cc(ccc2c(=O)n1CC)-c1ccncc1 |r|
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18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O |r|
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O |r|
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572308
PNG
(CHEMBL4858331)
Show SMILES CCC[C@@H](N1CCN[C@@H](C)C1)c1nc2ccncc2c(=O)n1CC |r|
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27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572287
PNG
(CHEMBL4854799)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2ccccc2c(=O)n1CC |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572294
PNG
(CHEMBL4854923)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2ccc(cc2c(=O)n1CC)-c1ccncc1 |r|
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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572293
PNG
(CHEMBL4862112)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2ccc(NCC)cc2c(=O)n1CC |r|
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572297
PNG
(CHEMBL4856257)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2cccc(Br)c2c(=O)n1CC |r|
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66n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572288
PNG
(CHEMBL4853335)
Show SMILES CCCC(N1C[C@H](C)N[C@H](C)C1)c1nc2ccccc2c(=O)n1C |r|
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73n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572299
PNG
(CHEMBL4854635)
Show SMILES CCCC(N1CCNCC1)c1nc2ccc(Br)cc2c(=O)n1CC
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76n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM436318
PNG
(2-(ethylamino)-9- methyl-6-(3-(5-methyl- 1,3,4-oxa...)
Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
Show InChI InChI=1S/C19H21N7O2/c1-4-20-19-21-11-15-16(22-19)25(3)8-9-26(18(15)27)14-7-5-6-13(10-14)17-24-23-12(2)28-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,21,22)
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81n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM50572302
PNG
(CHEMBL4864739)
Show SMILES CCC[C@@H](N1CCN[C@@H](C)C1)c1nc2ccc(Br)cc2c(=O)n1CC |r|
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91n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta1 expressed in CHO-K1 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00416
BindingDB Entry DOI: 10.7270/Q2GX4GCH
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562264
PNG
(US11401270, Example 90)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3ncccc3C2=O)cc1)c1cccs1 |r|
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562273
PNG
(1-Methyl-4-(4-(3- (methylamino)-1- (thiophen-2- yl...)
Show SMILES CNCCC(Oc1ccc(CN2CCN(C)c3ncccc3C2=O)cc1)c1cccs1
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562277
PNG
((S)-8-amino-1-methyl- 4-(4-(3-(methylamino)- 1-(th...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3nc(N)ccc3C2=O)cc1)c1cccs1 |r|
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562282
PNG
((S)-4-(2-fluoro-4-(3- (methylamino)-1- (thiophen-2...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3ncccc3C2=O)c(F)c1)c1cccs1 |r|
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562290
PNG
((S)-4-(2-fluoro-4-(3- (methylamino)-1- phenylpropo...)
Show SMILES CNCC[C@H](Oc1ccc(CN2CCN(C)c3ncccc3C2=O)c(F)c1)c1ccccc1 |r|
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562295
PNG
((S)-4-(3-fluoro-5-(3- (methylamino)-1- (thiophen-2...)
Show SMILES CNCCC(Oc1cc(F)cc(c1)N1CCN(C)c2ncccc2C1=O)c1cccs1
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562296
PNG
(4-(3-Fluoro-5-(1-(3- fluorophenyl)-3- (methylamino...)
Show SMILES CNCCC(Oc1cc(F)cc(c1)N1CCN(C)c2ncccc2C1=O)c1cccc(F)c1
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))
BDBM562298
PNG
(4-(2-Fluoro-4-(1-(3- fluorophenyl)-3- (methylamino...)
Show SMILES CNCCC(Oc1ccc(CN2CCN(C)c3ncccc3C2=O)c(F)c1)c1cccc(F)c1
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<100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Human α2δ-1 enriched membranes (2.5 μg) were incubated with 15 nM of radiolabeled [3H]-Gabapentin in assay buffer containing Hepes-KOH...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2PC35MW
More data for this
Ligand-Target Pair
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