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PubMed code 14980685

Compile data set for download or QSAR
Found 37 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-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140659
PNG
(CHEMBL287371 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(NC)c2c1C
Show InChI InChI=1S/C18H22N4O/c1-6-23-15-9-7-14(8-10-15)22-12(3)16-11(2)20-21-18(19-5)17(16)13(22)4/h7-10H,6H2,1-5H3,(H,19,21)
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n/an/a 40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140656
PNG
(CHEMBL26552 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccccc3)c2c1C
Show InChI InChI=1S/C23H24N4O/c1-5-28-20-13-11-19(12-14-20)27-16(3)21-15(2)25-26-23(22(21)17(27)4)24-18-9-7-6-8-10-18/h6-14H,5H2,1-4H3,(H,24,26)
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n/an/a 75n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140645
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-p-tolyl-6H-p...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C24H25N3O/c1-6-28-21-13-11-20(12-14-21)27-17(4)22-16(3)25-26-24(23(22)18(27)5)19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3
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n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140641
PNG
(6-(4-Ethoxy-phenyl)-1-(4-ethyl-phenyl)-4,5,7-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(CC)cc3)c2c1C
Show InChI InChI=1S/C25H27N3O/c1-6-19-8-10-20(11-9-19)25-24-18(5)28(17(4)23(24)16(3)26-27-25)21-12-14-22(15-13-21)29-7-2/h8-15H,6-7H2,1-5H3
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n/an/a 107n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140629
PNG
(1-(2-Cyclopentyl-ethyl)-6-(4-ethoxy-phenyl)-4,5,7-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CCC3CCCC3)c2c1C
Show InChI InChI=1S/C24H31N3O/c1-5-28-21-13-11-20(12-14-21)27-17(3)23-16(2)25-26-22(24(23)18(27)4)15-10-19-8-6-7-9-19/h11-14,19H,5-10,15H2,1-4H3
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n/an/a 148n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140664
PNG
(1,6-Bis-(4-ethoxy-phenyl)-4,5,7-trimethyl-6H-pyrro...)
Show SMILES CCOc1ccc(cc1)-c1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C25H27N3O2/c1-6-29-21-12-8-19(9-13-21)25-24-18(5)28(17(4)23(24)16(3)26-27-25)20-10-14-22(15-11-20)30-7-2/h8-15H,6-7H2,1-5H3
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n/an/a 153n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140642
PNG
(6-(4-Ethoxy-phenyl)-1-(4-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-21-13-9-19(10-14-21)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-7-11-20(28-5)12-8-18/h7-14H,6H2,1-5H3
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n/an/a 154n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140632
PNG
(CHEMBL24747 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(N(C)C)c2c1C
Show InChI InChI=1S/C19H24N4O/c1-7-24-16-10-8-15(9-11-16)23-13(3)17-12(2)20-21-19(22(5)6)18(17)14(23)4/h8-11H,7H2,1-6H3
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n/an/a 170n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140631
PNG
(1-Cyclopropyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CC3)c2c1C
Show InChI InChI=1S/C20H23N3O/c1-5-24-17-10-8-16(9-11-17)23-13(3)18-12(2)21-22-20(15-6-7-15)19(18)14(23)4/h8-11,15H,5-7H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140662
PNG
(6-(4-Ethoxy-phenyl)-1-isobutyl-4,5,7-trimethyl-6H-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC(C)C)c2c1C
Show InChI InChI=1S/C21H27N3O/c1-7-25-18-10-8-17(9-11-18)24-15(5)20-14(4)22-23-19(12-13(2)3)21(20)16(24)6/h8-11,13H,7,12H2,1-6H3
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n/an/a 171n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140647
PNG
(6-(4-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-9-7-15(8-10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140643
PNG
(1-Cyclopentyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CCCC3)c2c1C
Show InChI InChI=1S/C22H27N3O/c1-5-26-19-12-10-18(11-13-19)25-15(3)20-14(2)23-24-22(21(20)16(25)4)17-8-6-7-9-17/h10-13,17H,5-9H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140639
PNG
(1-Cyclopentylmethyl-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC3CCCC3)c2c1C
Show InChI InChI=1S/C23H29N3O/c1-5-27-20-12-10-19(11-13-20)26-16(3)22-15(2)24-25-21(23(22)17(26)4)14-18-8-6-7-9-18/h10-13,18H,5-9,14H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140630
PNG
(1-Cyclohexyl-6-(4-ethoxy-phenyl)-4,5,7-trimethyl-6...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C3CCCCC3)c2c1C
Show InChI InChI=1S/C23H29N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h11-14,18H,5-10H2,1-4H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140644
PNG
(CHEMBL24700 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(C)cc3)c2c1C
Show InChI InChI=1S/C24H26N4O/c1-6-29-21-13-11-20(12-14-21)28-17(4)22-16(3)26-27-24(23(22)18(28)5)25-19-9-7-15(2)8-10-19/h7-14H,6H2,1-5H3,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140653
PNG
(6-(4-Ethoxy-phenyl)-1-ethyl-4,5,7-trimethyl-6H-pyr...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC)c2c1C
Show InChI InChI=1S/C19H23N3O/c1-6-17-19-14(5)22(13(4)18(19)12(3)20-21-17)15-8-10-16(11-9-15)23-7-2/h8-11H,6-7H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140652
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(3-methyl-bu...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CCC(C)C)c2c1C
Show InChI InChI=1S/C22H29N3O/c1-7-26-19-11-9-18(10-12-19)25-16(5)21-15(4)23-24-20(13-8-14(2)3)22(21)17(25)6/h9-12,14H,7-8,13H2,1-6H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140628
PNG
(6-(4-Ethoxy-phenyl)-1-(3-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3cccc(OC)c3)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-20-12-10-19(11-13-20)27-16(3)22-15(2)25-26-24(23(22)17(27)4)18-8-7-9-21(14-18)28-5/h7-14H,6H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140636
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-pentyl-6H-py...)
Show SMILES CCCCCc1nnc(C)c2c(C)n(c(C)c12)-c1ccc(OCC)cc1
Show InChI InChI=1S/C22H29N3O/c1-6-8-9-10-20-22-17(5)25(16(4)21(22)15(3)23-24-20)18-11-13-19(14-12-18)26-7-2/h11-14H,6-10H2,1-5H3
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140633
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-phenyl-6H-py...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3)c2c1C
Show InChI InChI=1S/C23H23N3O/c1-5-27-20-13-11-19(12-14-20)26-16(3)21-15(2)24-25-23(22(21)17(26)4)18-9-7-6-8-10-18/h6-14H,5H2,1-4H3
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n/an/a 382n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140663
PNG
(CHEMBL24225 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethyl...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(OC)cc3)c2c1C
Show InChI InChI=1S/C24H26N4O2/c1-6-30-21-13-9-19(10-14-21)28-16(3)22-15(2)26-27-24(23(22)17(28)4)25-18-7-11-20(29-5)12-8-18/h7-14H,6H2,1-5H3,(H,25,27)
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140655
PNG
(6-(4-Ethoxy-phenyl)-1-(4-fluoro-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(F)cc3)c2c1C
Show InChI InChI=1S/C23H22FN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
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n/an/a 528n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140648
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(2,4,4-trime...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(CC(C)CC(C)(C)C)c2c1C
Show InChI InChI=1S/C25H35N3O/c1-9-29-21-12-10-20(11-13-21)28-18(4)23-17(3)26-27-22(24(23)19(28)5)14-16(2)15-25(6,7)8/h10-13,16H,9,14-15H2,1-8H3
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n/an/a 577n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140649
PNG
(1-(2,4-Dimethoxy-phenyl)-6-(4-ethoxy-phenyl)-4,5,7...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC)cc3OC)c2c1C
Show InChI InChI=1S/C25H27N3O3/c1-7-31-19-10-8-18(9-11-19)28-16(3)23-15(2)26-27-25(24(23)17(28)4)21-13-12-20(29-5)14-22(21)30-6/h8-14H,7H2,1-6H3
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n/an/a 597n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140634
PNG
(1-(4-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(Cl)cc3)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-20-12-10-19(11-13-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-6-8-18(24)9-7-17/h6-13H,5H2,1-4H3
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n/an/a 701n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140640
PNG
(6-(4-Ethoxy-phenyl)-1-(2-methoxy-phenyl)-4,5,7-tri...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3OC)c2c1C
Show InChI InChI=1S/C24H25N3O2/c1-6-29-19-13-11-18(12-14-19)27-16(3)22-15(2)25-26-24(23(22)17(27)4)20-9-7-8-10-21(20)28-5/h7-14H,6H2,1-5H3
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n/an/a 737n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140654
PNG
(1-Biphenyl-4-yl-6-(4-ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(cc3)-c3ccccc3)c2c1C
Show InChI InChI=1S/C29H27N3O/c1-5-33-26-17-15-25(16-18-26)32-20(3)27-19(2)30-31-29(28(27)21(32)4)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h6-18H,5H2,1-4H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140651
PNG
(1-(3-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3cccc(Cl)c3)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-20-11-9-19(10-12-20)27-15(3)21-14(2)25-26-23(22(21)16(27)4)17-7-6-8-18(24)13-17/h6-13H,5H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140650
PNG
(6-(4-Ethoxy-phenyl)-1,5,7-trimethyl-4-(4-trifluoro...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccc(OC(F)(F)F)cc3)c2c1C
Show InChI InChI=1S/C24H22F3N3O2/c1-5-31-19-12-8-18(9-13-19)30-15(3)21-14(2)28-29-23(22(21)16(30)4)17-6-10-20(11-7-17)32-24(25,26)27/h6-13H,5H2,1-4H3
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n/an/a 1.73E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140635
PNG
(6-(2-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1ccccc1-n1c(C)c2c(C)nnc(C)c2c1C |(1.05,-4.21,;-.49,-4.21,;-1.28,-2.88,;-.51,-1.55,;1.03,-1.55,;1.8,-.21,;1.01,1.12,;-.53,1.11,;-1.28,-.22,;-2.82,-.23,;-3.71,-1.48,;-3.24,-2.95,;-5.18,-1.01,;-6.53,-1.78,;-6.53,-3.32,;-7.86,-1.01,;-7.86,.53,;-6.53,1.3,;-6.53,2.84,;-5.2,.53,;-3.73,1.02,;-3.26,2.47,)|
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-10-8-7-9-15(16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140658
PNG
(6-(4-Ethoxy-phenyl)-1-methoxy-4,5,7-trimethyl-6H-p...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(OC)c2c1C
Show InChI InChI=1S/C18H21N3O2/c1-6-23-15-9-7-14(8-10-15)21-12(3)16-11(2)19-20-18(22-5)17(16)13(21)4/h7-10H,6H2,1-5H3
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n/an/a 2.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140637
PNG
(1-(2-Chloro-phenyl)-6-(4-ethoxy-phenyl)-4,5,7-trim...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(-c3ccccc3Cl)c2c1C
Show InChI InChI=1S/C23H22ClN3O/c1-5-28-18-12-10-17(11-13-18)27-15(3)21-14(2)25-26-23(22(21)16(27)4)19-8-6-7-9-20(19)24/h6-13H,5H2,1-4H3
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n/an/a 4.37E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140657
PNG
(1,4,5,7-Tetramethyl-6-(4-propoxy-phenyl)-6H-pyrrol...)
Show SMILES CCCOc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C19H23N3O/c1-6-11-23-17-9-7-16(8-10-17)22-14(4)18-12(2)20-21-13(3)19(18)15(22)5/h7-10H,6,11H2,1-5H3
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n/an/a 5.18E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140661
PNG
(6-(3-Ethoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrolo...)
Show SMILES CCOc1cccc(c1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C18H21N3O/c1-6-22-16-9-7-8-15(10-16)21-13(4)17-11(2)19-20-12(3)18(17)14(21)5/h7-10H,6H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140638
PNG
(CHEMBL280835 | N-[6-(4-Ethoxy-phenyl)-4,5,7-trimet...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccc(N)cc3)c2c1C
Show InChI InChI=1S/C23H25N5O/c1-5-29-20-12-10-19(11-13-20)28-15(3)21-14(2)26-27-23(22(21)16(28)4)25-18-8-6-17(24)7-9-18/h6-13H,5,24H2,1-4H3,(H,25,27)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140660
PNG
(6-(4-Methoxy-phenyl)-1,4,5,7-tetramethyl-6H-pyrrol...)
Show SMILES COc1ccc(cc1)-n1c(C)c2c(C)nnc(C)c2c1C
Show InChI InChI=1S/C17H19N3O/c1-10-16-12(3)20(13(4)17(16)11(2)19-18-10)14-6-8-15(21-5)9-7-14/h6-9H,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-1


(Homo sapiens (Human))		BDBM50140646
PNG
(CHEMBL415465 | [6-(4-Ethoxy-phenyl)-4,5,7-trimethy...)
Show SMILES CCOc1ccc(cc1)-n1c(C)c2c(C)nnc(Nc3ccncc3)c2c1C
Show InChI InChI=1S/C22H23N5O/c1-5-28-19-8-6-18(7-9-19)27-15(3)20-14(2)25-26-22(21(20)16(27)4)24-17-10-12-23-13-11-17/h6-13H,5H2,1-4H3,(H,23,24,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for huamn alpha2-delta1 subunit of voltage gated calcium channel over-expressed in A710 cell membranes using [3H]-gabapentin

Bioorg Med Chem Lett 14: 1295-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.036
BindingDB Entry DOI: 10.7270/Q26Q1WPT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%