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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'aiyar' and Initial = 'j'   
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))
BDBM50143361
PNG
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-heptane-1,...)
Show SMILES CCC[C@@H](CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)/t19-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145324
PNG
((2-m-Tolyl-ethyl)-[6-(3-trifluoromethyl-[1,2,4]tri...)
Show SMILES Cc1cccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)c1
Show InChI InChI=1S/C26H23F3N6O/c1-17-6-4-7-18(14-17)12-13-30-15-19-8-5-9-20(31-19)16-36-24-22-11-3-2-10-21(22)23-32-33-25(26(27,28)29)35(23)34-24/h2-11,14,30H,12-13,15-16H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50143364
PNG
(CHEMBL57657 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-4-12-19(13-11-18-27(5-2)6-3)25-24-20-14-7-9-16-22(20)26-23-17-10-8-15-21(23)24/h7-10,14-17,19H,4-6,11-13,18H2,1-3H3,(H,25,26)
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
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))
BDBM50080153
PNG
((1-Aminomethyl-cyclohexyl)-acetic acid | 2-(1-(ami...)
Show SMILES NCC1(CC(O)=O)CCCCC1
Show InChI InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
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n/an/a 27n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145330
PNG
(CHEMBL310121 | [2-(3-Bromo-phenyl)-ethyl]-{(S)-1-[...)
Show SMILES C[C@H](NCCc1cccc(Br)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C26H22BrF3N6O/c1-16(31-13-12-17-6-4-7-18(27)14-17)22-11-5-8-19(32-22)15-37-24-21-10-3-2-9-20(21)23-33-34-25(26(28,29)30)36(23)35-24/h2-11,14,16,31H,12-13,15H2,1H3/t16-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145307
PNG
((2-m-Tolyl-ethyl)-{1-[6-(3-trifluoromethyl-[1,2,4]...)
Show SMILES CC(NCCc1cccc(C)c1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C27H25F3N6O/c1-17-7-5-8-19(15-17)13-14-31-18(2)23-12-6-9-20(32-23)16-37-25-22-11-4-3-10-21(22)24-33-34-26(27(28,29)30)36(24)35-25/h3-12,15,18,31H,13-14,16H2,1-2H3
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50366906
PNG
(CHEMBL1169381)
Show SMILES C[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145305
PNG
(CHEMBL446627 | Phenethyl-{(S)-1-[6-(3-trifluoromet...)
Show SMILES C[C@H](NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3/t17-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50145329
PNG
(CHEMBL79184 | Phenethyl-{1-[6-(3-trifluoromethyl-[...)
Show SMILES CC(NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C26H23F3N6O/c1-17(30-15-14-18-8-3-2-4-9-18)22-13-7-10-19(31-22)16-36-24-21-12-6-5-11-20(21)23-32-33-25(26(27,28)29)35(23)34-24/h2-13,17,30H,14-16H2,1H3
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n/an/a 36n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50143345
PNG
(CHEMBL57487 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCC(CCCN(CC)CC)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C23H31N3/c1-4-18(12-11-17-26(5-2)6-3)24-23-19-13-7-9-15-21(19)25-22-16-10-8-14-20(22)23/h7-10,13-16,18H,4-6,11-12,17H2,1-3H3,(H,24,25)
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50143358
PNG
((S)-N*1*,N*1*-Diethyl-N*4*-(1,2,3,4,5,6,7,8-octahy...)
Show SMILES CCN(CC)CCC[C@H](C)Nc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)/t17-/m0/s1
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n/an/a 43n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
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))
BDBM50143348
PNG
(CHEMBL299461 | N*1*-Acridin-9-yl-1-cyclopropyl-N*4...)
Show SMILES CCN(CC)CCCC(Nc1c2ccccc2nc2ccccc12)C1CC1
Show InChI InChI=1S/C24H31N3/c1-3-27(4-2)17-9-14-21(18-15-16-18)26-24-19-10-5-7-12-22(19)25-23-13-8-6-11-20(23)24/h5-8,10-13,18,21H,3-4,9,14-17H2,1-2H3,(H,25,26)
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n/an/a 52n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
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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n/an/a 64n/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))
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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n/an/a 65n/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))
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



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))
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



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))
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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n/an/a 69n/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))
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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n/an/a 70n/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))
BDBM50145306
PNG
(CHEMBL84067 | Phenethyl-[6-(3-trifluoromethyl-[1,2...)
Show SMILES FC(F)(F)c1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12
Show InChI InChI=1S/C25H21F3N6O/c26-25(27,28)24-32-31-22-20-11-4-5-12-21(20)23(33-34(22)24)35-16-19-10-6-9-18(30-19)15-29-14-13-17-7-2-1-3-8-17/h1-12,29H,13-16H2
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n/an/a 72n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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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n/an/a 76n/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))
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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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))
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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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))
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



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))
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))
BDBM50143357
PNG
((S)-N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-pentane-1,...)
Show SMILES CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C22H29N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h6-9,12-15,17H,4-5,10-11,16H2,1-3H3,(H,23,24)/t17-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145326
PNG
(CHEMBL311873 | [2-(3-Methoxy-phenyl)-ethyl]-[6-(3-...)
Show SMILES COc1cccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)c1
Show InChI InChI=1S/C26H23F3N6O2/c1-36-20-9-4-6-17(14-20)12-13-30-15-18-7-5-8-19(31-18)16-37-24-22-11-3-2-10-21(22)23-32-33-25(26(27,28)29)35(23)34-24/h2-11,14,30H,12-13,15-16H2,1H3
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n/an/a 116n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50145313
PNG
(CHEMBL81850 | [6-(3-Methoxymethyl-[1,2,4]triazolo[...)
Show SMILES COCc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12
Show InChI InChI=1S/C26H26N6O2/c1-33-18-24-29-30-25-22-12-5-6-13-23(22)26(31-32(24)25)34-17-21-11-7-10-20(28-21)16-27-15-14-19-8-3-2-4-9-19/h2-13,27H,14-18H2,1H3
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n/an/a 131n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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



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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))
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))
BDBM50145314
PNG
(CHEMBL81225 | [6-(3-Methyl-[1,2,4]triazolo[3,4-a]p...)
Show SMILES Cc1nnc2c3ccccc3c(OCc3cccc(CNCCc4ccccc4)n3)nn12
Show InChI InChI=1S/C25H24N6O/c1-18-28-29-24-22-12-5-6-13-23(22)25(30-31(18)24)32-17-21-11-7-10-20(27-21)16-26-15-14-19-8-3-2-4-9-19/h2-13,26H,14-17H2,1H3
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145316
PNG
(CHEMBL79968 | [6-(3-Cyclohexyl-[1,2,4]triazolo[3,4...)
Show SMILES C(Cc1ccccc1)NCc1cccc(COc2nn3c(nnc3c3ccccc23)C2CCCCC2)n1
Show InChI InChI=1S/C30H32N6O/c1-3-10-22(11-4-1)18-19-31-20-24-14-9-15-25(32-24)21-37-30-27-17-8-7-16-26(27)29-34-33-28(36(29)35-30)23-12-5-2-6-13-23/h1,3-4,7-11,14-17,23,31H,2,5-6,12-13,18-21H2
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n/an/a 145n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 delta-1 subunit of voltage gated subunit of Ca+2 channel in human


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50143347
PNG
(CHEMBL58047 | N*1*,N*1*-Diethyl-N*4*-(1,2,3,4,5,6,...)
Show SMILES CCN(CC)CCCC(C)Nc1c2CCCCc2nc2CCCCc12
Show InChI InChI=1S/C22H37N3/c1-4-25(5-2)16-10-11-17(3)23-22-18-12-6-8-14-20(18)24-21-15-9-7-13-19(21)22/h17H,4-16H2,1-3H3,(H,23,24)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards alpha2-delta subunit of a voltage gated calcium channel using [3H]-gabapentin in human brain membrane (A710 membrane)


Bioorg Med Chem Lett 14: 1913-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.087
BindingDB Entry DOI: 10.7270/Q2HQ3ZBQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel subunit alpha-2/delta


(Homo sapiens (Human))
BDBM50145311
PNG
(CHEMBL79762 | [2-(3-Fluoro-phenyl)-ethyl]-[6-(3-tr...)
Show SMILES Fc1cccc(CCNCc2cccc(COc3nn4c(nnc4c4ccccc34)C(F)(F)F)n2)c1
Show InChI InChI=1S/C25H20F4N6O/c26-17-6-3-5-16(13-17)11-12-30-14-18-7-4-8-19(31-18)15-36-23-21-10-2-1-9-20(21)22-32-33-24(25(27,28)29)35(22)34-23/h1-10,13,30H,11-12,14-15H2
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n/an/a 161n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50145331
PNG
(CHEMBL309198 | {2-Methyl-1-[6-(3-trifluoromethyl-[...)
Show SMILES CC(C)C(NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C28H27F3N6O/c1-18(2)24(32-16-15-19-9-4-3-5-10-19)23-14-8-11-20(33-23)17-38-26-22-13-7-6-12-21(22)25-34-35-27(28(29,30)31)37(25)36-26/h3-14,18,24,32H,15-17H2,1-2H3
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n/an/a 174n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
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))
BDBM50145328
PNG
(CHEMBL81495 | Phenethyl-{1-[6-(3-trifluoromethyl-[...)
Show SMILES CCC(NCCc1ccccc1)c1cccc(COc2nn3c(nnc3c3ccccc23)C(F)(F)F)n1
Show InChI InChI=1S/C27H25F3N6O/c1-2-22(31-16-15-18-9-4-3-5-10-18)23-14-8-11-19(32-23)17-37-25-21-13-7-6-12-20(21)24-33-34-26(27(28,29)30)36(24)35-25/h3-14,22,31H,2,15-17H2,1H3
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n/an/a 183n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against alpha2 delta-1 subunit of voltage-gated calcium channel in human.


Bioorg Med Chem Lett 14: 2463-7 (2004)


Article DOI: 10.1016/s0960-894x(04)00340-3
BindingDB Entry DOI: 10.7270/Q23X876G
More data for this
Ligand-Target Pair
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