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PubMed code 16321528

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178456
PNG
(CHEMBL202120 | N-(3-fluorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(F)c3)c2c1C
Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178458
PNG
(6-(4-ethoxyphenyl)-N-(1H-indol-5-yl)-4,5,7-trimeth...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ccc4c3)c2c1C
Show InChI InChI=1S/C25H25N5O/c1-5-31-21-9-7-20(8-10-21)30-16(3)23-15(2)28-29-25(24(23)17(30)4)27-19-6-11-22-18(14-19)12-13-26-22/h6-14,26H,5H2,1-4H3,(H,27,29)
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178478
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((5,6,7,8-tet...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc4CCCNc4n3)c2c1C
Show InChI InChI=1S/C26H30N6O/c1-5-33-22-12-10-21(11-13-22)32-17(3)23-16(2)30-31-26(24(23)18(32)4)28-15-20-9-8-19-7-6-14-27-25(19)29-20/h8-13H,5-7,14-15H2,1-4H3,(H,27,29)(H,28,31)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178454
PNG
(6-(4-ethoxyphenyl)-N-(1H-indazol-5-yl)-4,5,7-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4[nH]ncc4c3)c2c1C
Show InChI InChI=1S/C24H24N6O/c1-5-31-20-9-7-19(8-10-20)30-15(3)22-14(2)27-29-24(23(22)16(30)4)26-18-6-11-21-17(12-18)13-25-28-21/h6-13H,5H2,1-4H3,(H,25,28)(H,26,29)
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178480
PNG
(CHEMBL201824 | N-(3-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-11-9-20(10-12-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-7-6-8-19(25)13-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178459
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((tetrahydrof...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCC3CCCO3)c2c1C
Show InChI InChI=1S/C22H28N4O2/c1-5-27-18-10-8-17(9-11-18)26-15(3)20-14(2)24-25-22(21(20)16(26)4)23-13-19-7-6-12-28-19/h8-11,19H,5-7,12-13H2,1-4H3,(H,23,25)
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178468
PNG
(CHEMBL382960 | N-(2,3-dihydro-1H-inden-1-yl)-6-(4-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC3CCc4ccccc34)c2c1C
Show InChI InChI=1S/C26H28N4O/c1-5-31-21-13-11-20(12-14-21)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-23-15-10-19-8-6-7-9-22(19)23/h6-9,11-14,23H,5,10,15H2,1-4H3,(H,27,29)
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n/an/a 54n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178462
PNG
(CHEMBL201818 | N-butyl-6-(4-ethoxyphenyl)-4,5,7-tr...)
Show SMILES CCCCNc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C21H28N4O/c1-6-8-13-22-21-20-16(5)25(15(4)19(20)14(3)23-24-21)17-9-11-18(12-10-17)26-7-2/h9-12H,6-8,13H2,1-5H3,(H,22,24)
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n/an/a 61n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178486
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(quinolin-8-y...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4cccnc34)c2c1C
Show InChI InChI=1S/C27H27N5O/c1-5-33-23-13-11-22(12-14-23)32-18(3)24-17(2)30-31-27(25(24)19(32)4)29-16-21-9-6-8-20-10-7-15-28-26(20)21/h6-15H,5,16H2,1-4H3,(H,29,31)
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n/an/a 63n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178467
PNG
(1-(6-ethoxy-4,5,7-trimethyl-6H-pyrrolo[3,4-d]pyrid...)
Show SMILES CCOn1c(C)c2c(C)nnc(NNCc3cnn(CC)c3)c2c1C
Show InChI InChI=1S/C17H25N7O/c1-6-23-10-14(9-19-23)8-18-21-17-16-13(5)24(25-7-2)12(4)15(16)11(3)20-22-17/h9-10,18H,6-8H2,1-5H3,(H,21,22)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178481
PNG
(CHEMBL202603 | N-(4-chlorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C24H25ClN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178484
PNG
(6-(4-ethoxyphenyl)-N-isopropyl-4,5,7-trimethyl-6H-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC(C)C)c2c1C
Show InChI InChI=1S/C20H26N4O/c1-7-25-17-10-8-16(9-11-17)24-14(5)18-13(4)22-23-20(21-12(2)3)19(18)15(24)6/h8-12H,7H2,1-6H3,(H,21,23)
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n/an/a 67n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178465
PNG
(CHEMBL381840 | N-((4-cyclopropyl-1H-pyrazol-3-yl)m...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3[nH]ncc3C3CC3)c2c1C
Show InChI InChI=1S/C24H28N6O/c1-5-31-19-10-8-18(9-11-19)30-15(3)22-14(2)27-29-24(23(22)16(30)4)25-13-21-20(12-26-28-21)17-6-7-17/h8-12,17H,5-7,13H2,1-4H3,(H,25,29)(H,26,28)
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n/an/a 68n/an/an/an/an/an/a



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Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178449
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((1-methyl-1H...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cnn(C)c3)c2c1C
Show InChI InChI=1S/C22H26N6O/c1-6-29-19-9-7-18(8-10-19)28-15(3)20-14(2)25-26-22(21(20)16(28)4)23-11-17-12-24-27(5)13-17/h7-10,12-13H,6,11H2,1-5H3,(H,23,26)
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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178475
PNG
(CHEMBL201992 | N-((1H-indol-4-yl)methyl)-6-(4-etho...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc4[nH]ccc34)c2c1C
Show InChI InChI=1S/C26H27N5O/c1-5-32-21-11-9-20(10-12-21)31-17(3)24-16(2)29-30-26(25(24)18(31)4)28-15-19-7-6-8-23-22(19)13-14-27-23/h6-14,27H,5,15H2,1-4H3,(H,28,30)
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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178489
PNG
(CHEMBL202224 | N-(2-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccccc3OC)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-21-13-11-20(12-14-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-9-7-8-10-22(19)30-5/h7-14H,6,15H2,1-5H3,(H,26,28)
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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178470
PNG
((3aR,9bR)-2-(6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3C[C@@H]4CCc5ccccc5[C@@H]4C3)c2c1C
Show InChI InChI=1S/C29H32N4O/c1-5-34-24-14-12-23(13-15-24)33-19(3)27-18(2)30-31-29(28(27)20(33)4)32-16-22-11-10-21-8-6-7-9-25(21)26(22)17-32/h6-9,12-15,22,26H,5,10-11,16-17H2,1-4H3/t22-,26+/m0/s1
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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178450
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-((6-methylpyr...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(C)n3)c2c1C
Show InChI InChI=1S/C24H27N5O/c1-6-30-21-12-10-20(11-13-21)29-17(4)22-16(3)27-28-24(23(22)18(29)5)25-14-19-9-7-8-15(2)26-19/h7-13H,6,14H2,1-5H3,(H,25,28)
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n/an/a 84n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178487
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-4-yl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccncc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-8-6-19(7-9-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-10-12-24-13-11-18/h6-13H,5,14H2,1-4H3,(H,25,27)
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Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178461
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(2-methylbuty...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCC(C)CC)c2c1C
Show InChI InChI=1S/C22H30N4O/c1-7-14(3)13-23-22-21-17(6)26(16(5)20(21)15(4)24-25-22)18-9-11-19(12-10-18)27-8-2/h9-12,14H,7-8,13H2,1-6H3,(H,23,25)
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n/an/a 84n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178455
PNG
(CHEMBL202170 | N-(4-fluorobenzyl)-6-(4-ethoxypheny...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C24H25FN4O/c1-5-30-21-12-10-20(11-13-21)29-16(3)22-15(2)27-28-24(23(22)17(29)4)26-14-18-6-8-19(25)9-7-18/h6-13H,5,14H2,1-4H3,(H,26,28)
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n/an/a 94n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178464
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-3-yl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccnc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-10-8-19(9-11-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-7-6-12-24-13-18/h6-13H,5,14H2,1-4H3,(H,25,27)
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n/an/a 119n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178482
PNG
(2-(6-(4-ethoxyphenyl)-4,5,7-trimethyl-6H-pyrrolo[3...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC4C5C=CC=CC5N=C4C3)c2c1C
Show InChI InChI=1S/C28H31N5O/c1-5-34-21-12-10-20(11-13-21)33-18(3)26-17(2)30-31-28(27(26)19(33)4)32-15-14-23-22-8-6-7-9-24(22)29-25(23)16-32/h6-13,22-24H,5,14-16H2,1-4H3
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178466
PNG
(CHEMBL370873 | N-(1-(6-(4-ethoxyphenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC(C3)NC(C)=O)c2c1C
Show InChI InChI=1S/C23H29N5O2/c1-6-30-20-9-7-19(8-10-20)28-15(3)21-14(2)25-26-23(22(21)16(28)4)27-12-11-18(13-27)24-17(5)29/h7-10,18H,6,11-13H2,1-5H3,(H,24,29)
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n/an/a 144n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178476
PNG
(1-(3,3-diphenylpyrrolidin-1-yl)-6-(4-ethoxyphenyl)...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC(C3)(c3ccccc3)c3ccccc3)c2c1C
Show InChI InChI=1S/C33H34N4O/c1-5-38-29-18-16-28(17-19-29)37-24(3)30-23(2)34-35-32(31(30)25(37)4)36-21-20-33(22-36,26-12-8-6-9-13-26)27-14-10-7-11-15-27/h6-19H,5,20-22H2,1-4H3
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n/an/a 153n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178474
PNG
(CHEMBL202184 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC3CCCc4ccccc34)c2c1C
Show InChI InChI=1S/C27H30N4O/c1-5-32-22-15-13-21(14-16-22)31-18(3)25-17(2)29-30-27(26(25)19(31)4)28-24-12-8-10-20-9-6-7-11-23(20)24/h6-7,9,11,13-16,24H,5,8,10,12H2,1-4H3,(H,28,30)
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178453
PNG
(6-(4-ethoxyphenyl)-N,4,5,7-tetramethyl-N-(2-(pyrid...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N(C)CCc3ccccn3)c2c1C
Show InChI InChI=1S/C25H29N5O/c1-6-31-22-12-10-21(11-13-22)30-18(3)23-17(2)27-28-25(24(23)19(30)4)29(5)16-14-20-9-7-8-15-26-20/h7-13,15H,6,14,16H2,1-5H3
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n/an/a 179n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178488
PNG
(6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(pyrrolidin-1...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCCC3)c2c1C
Show InChI InChI=1S/C21H26N4O/c1-5-26-18-10-8-17(9-11-18)25-15(3)19-14(2)22-23-21(20(19)16(25)4)24-12-6-7-13-24/h8-11H,5-7,12-13H2,1-4H3
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178477
PNG
(CHEMBL382058 | N-(2,3-dihydro-1H-inden-5-yl)-6-(4-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4CCCc4c3)c2c1C
Show InChI InChI=1S/C26H28N4O/c1-5-31-23-13-11-22(12-14-23)30-17(3)24-16(2)28-29-26(25(24)18(30)4)27-21-10-9-19-7-6-8-20(19)15-21/h9-15H,5-8H2,1-4H3,(H,27,29)
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n/an/a 199n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178451
PNG
(CHEMBL379452 | N-(benzo[d][1,3]dioxol-5-yl)-6-(4-e...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4OCOc4c3)c2c1C
Show InChI InChI=1S/C24H24N4O3/c1-5-29-19-9-7-18(8-10-19)28-15(3)22-14(2)26-27-24(23(22)16(28)4)25-17-6-11-20-21(12-17)31-13-30-20/h6-12H,5,13H2,1-4H3,(H,25,27)
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n/an/a 207n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178479
PNG
(6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(piperidin-1-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCCCC3)c2c1C
Show InChI InChI=1S/C22H28N4O/c1-5-27-19-11-9-18(10-12-19)26-16(3)20-15(2)23-24-22(21(20)17(26)4)25-13-7-6-8-14-25/h9-12H,5-8,13-14H2,1-4H3
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n/an/a 221n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178463
PNG
(CHEMBL201958 | N-(3-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3cccc(OC)c3)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-21-12-10-20(11-13-21)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-8-7-9-22(14-19)30-5/h7-14H,6,15H2,1-5H3,(H,26,28)
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n/an/a 239n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178452
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(4-methylpent...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC(C)CC(C)C)c2c1C
Show InChI InChI=1S/C23H32N4O/c1-8-28-20-11-9-19(10-12-20)27-17(6)21-16(5)25-26-23(22(21)18(27)7)24-15(4)13-14(2)3/h9-12,14-15H,8,13H2,1-7H3,(H,24,26)
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n/an/a 296n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178472
PNG
(CHEMBL202403 | N-(1H-benzo[d][1,2,3]triazol-5-yl)-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc4nn[nH]c4c3)c2c1C
Show InChI InChI=1S/C23H23N7O/c1-5-31-18-9-7-17(8-10-18)30-14(3)21-13(2)25-28-23(22(21)15(30)4)24-16-6-11-19-20(12-16)27-29-26-19/h6-12H,5H2,1-4H3,(H,24,28)(H,26,27,29)
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n/an/a 346n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178483
PNG
(6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-(4-methylpipe...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCC(C)CC3)c2c1C
Show InChI InChI=1S/C23H30N4O/c1-6-28-20-9-7-19(8-10-20)27-17(4)21-16(3)24-25-23(22(21)18(27)5)26-13-11-15(2)12-14-26/h7-10,15H,6,11-14H2,1-5H3
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178457
PNG
(CHEMBL202255 | N-(4-methoxybenzyl)-6-(4-ethoxyphen...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C25H28N4O2/c1-6-31-22-13-9-20(10-14-22)29-17(3)23-16(2)27-28-25(24(23)18(29)4)26-15-19-7-11-21(30-5)12-8-19/h7-14H,6,15H2,1-5H3,(H,26,28)
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n/an/a 702n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178473
PNG
(1-(3,5-dimethylpiperidin-1-yl)-6-(4-ethoxyphenyl)-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CC(C)CC(C)C3)c2c1C
Show InChI InChI=1S/C24H32N4O/c1-7-29-21-10-8-20(9-11-21)28-18(5)22-17(4)25-26-24(23(22)19(28)6)27-13-15(2)12-16(3)14-27/h8-11,15-16H,7,12-14H2,1-6H3
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n/an/a 702n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178460
PNG
(6-(4-ethoxyphenyl)-1,5,7-trimethyl-4-morpholino-6H...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCOCC3)c2c1C
Show InChI InChI=1S/C21H26N4O2/c1-5-27-18-8-6-17(7-9-18)25-15(3)19-14(2)22-23-21(20(19)16(25)4)24-10-12-26-13-11-24/h6-9H,5,10-13H2,1-4H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178471
PNG
(1,3,4-trimethyl-7-(4-methylcyclohexyl)-2-(4-propyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CCN(C)CC3)c2c1C
Show InChI InChI=1S/C22H29N5O/c1-6-28-19-9-7-18(8-10-19)27-16(3)20-15(2)23-24-22(21(20)17(27)4)26-13-11-25(5)12-14-26/h7-10H,6,11-14H2,1-5H3
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n/an/a 2.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178469
PNG
(1-(2,6-dimethylmorpholino)-6-(4-ethoxyphenyl)-4,5,...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N3CC(C)OC(C)C3)c2c1C
Show InChI InChI=1S/C23H30N4O2/c1-7-28-20-10-8-19(9-11-20)27-17(5)21-16(4)24-25-23(22(21)18(27)6)26-12-14(2)29-15(3)13-26/h8-11,14-15H,7,12-13H2,1-6H3
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50178485
PNG
(6-(4-ethoxyphenyl)-4,5,7-trimethyl-N-(pyridin-2-yl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NCc3ccccn3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-11-9-19(10-12-20)28-16(3)21-15(2)26-27-23(22(21)17(28)4)25-14-18-8-6-7-13-24-18/h6-13H,5,14H2,1-4H3,(H,25,27)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
[3H]Gabapentin binding in human A710 membrane expressing alpha2delta subunit of calcium channel


Bioorg Med Chem Lett 16: 746-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.117
BindingDB Entry DOI: 10.7270/Q2X34X2M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%