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PubMed code 15050626

Compile data set for download or QSAR
Found 25 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))
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))
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))
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))
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))
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))
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))
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))
BDBM50143363
PNG
(CHEMBL59367 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCN(CC)CCCC(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)
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n/an/a 220n/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))
BDBM50143355
PNG
(CHEMBL59368 | N*4*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCN(CC)CCCC(C)(C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C23H31N3/c1-5-26(6-2)17-11-16-23(3,4)25-22-18-12-7-9-14-20(18)24-21-15-10-8-13-19(21)22/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,24,25)
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n/an/a 270n/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))
BDBM50143351
PNG
(CHEMBL292915 | N*1*,N*1*-Diethyl-N*4*-(1,2,3,4-tet...)
Show SMILES CCN(CC)CCCC(C)Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C22H33N3/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/h6,8,12,14,17H,4-5,7,9-11,13,15-16H2,1-3H3,(H,23,24)
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n/an/a 420n/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))
BDBM50143359
PNG
((R)-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-/m1/s1
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n/an/a 760n/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))
BDBM50143353
PNG
(CHEMBL59208 | N*1*,N*1*-Diethyl-N*4*-(2-phenyl-qui...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H31N3/c1-4-27(5-2)17-11-12-19(3)25-24-18-23(20-13-7-6-8-14-20)26-22-16-10-9-15-21(22)24/h6-10,13-16,18-19H,4-5,11-12,17H2,1-3H3,(H,25,26)
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n/an/a 960n/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))
BDBM50143360
PNG
(CHEMBL56880 | N*1*-Acridin-9-yl-N*4*,N*4*-diethyl-...)
Show SMILES CCN(CC)CCCC(Nc1c2ccccc2nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C27H31N3/c1-3-30(4-2)20-12-19-24(21-13-6-5-7-14-21)29-27-22-15-8-10-17-25(22)28-26-18-11-9-16-23(26)27/h5-11,13-18,24H,3-4,12,19-20H2,1-2H3,(H,28,29)
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n/an/a 1.10E+3n/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))
BDBM50143366
PNG
(CHEMBL56754 | N*4*-Acridin-9-yl-N*1*-isopropyl-pen...)
Show SMILES CC(C)NCCCC(C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H27N3/c1-15(2)22-14-8-9-16(3)23-21-17-10-4-6-12-19(17)24-20-13-7-5-11-18(20)21/h4-7,10-13,15-16,22H,8-9,14H2,1-3H3,(H,23,24)
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n/an/a 5.10E+3n/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))
BDBM50143352
PNG
(Acridin-9-yl-[1-methyl-4-((R)-2-methyl-6-(S)-methy...)
Show SMILES CC(CCCN1[C@@H](C)CCC[C@H]1C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C25H33N3/c1-18(10-9-17-28-19(2)11-8-12-20(28)3)26-25-21-13-4-6-15-23(21)27-24-16-7-5-14-22(24)25/h4-7,13-16,18-20H,8-12,17H2,1-3H3,(H,26,27)/t18?,19-,20+
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n/an/a 5.90E+3n/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))
BDBM50143365
PNG
(CHEMBL59089 | N*5*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCN(CC)CCCCC(C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C23H31N3/c1-4-26(5-2)17-11-10-12-18(3)24-23-19-13-6-8-15-21(19)25-22-16-9-7-14-20(22)23/h6-9,13-16,18H,4-5,10-12,17H2,1-3H3,(H,24,25)
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n/an/a 6.00E+3n/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))
BDBM50143362
PNG
(Acridin-9-yl-(1-methyl-4-pyrrolidin-1-yl-butyl)-am...)
Show SMILES CC(CCCN1CCCC1)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C22H27N3/c1-17(9-8-16-25-14-6-7-15-25)23-22-18-10-2-4-12-20(18)24-21-13-5-3-11-19(21)22/h2-5,10-13,17H,6-9,14-16H2,1H3,(H,23,24)
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n/an/a 9.90E+3n/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))
BDBM50143349
PNG
(CHEMBL57635 | N*1*,N*1*-Diethyl-N*4*-(2-trifluorom...)
Show SMILES CCN(CC)CCCC(C)Nc1cc(nc2CCCCc12)C(F)(F)F
Show InChI InChI=1S/C19H30F3N3/c1-4-25(5-2)12-8-9-14(3)23-17-13-18(19(20,21)22)24-16-11-7-6-10-15(16)17/h13-14H,4-12H2,1-3H3,(H,23,24)
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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 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))
BDBM50143367
PNG
(CHEMBL58526 | N*4*-Acridin-9-yl-N*1*,N*1*-diisopro...)
Show SMILES CC(CCCN(C(C)C)C(C)C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C24H33N3/c1-17(2)27(18(3)4)16-10-11-19(5)25-24-20-12-6-8-14-22(20)26-23-15-9-7-13-21(23)24/h6-9,12-15,17-19H,10-11,16H2,1-5H3,(H,25,26)
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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 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))
BDBM50143346
PNG
(CHEMBL58470 | N*3*-Acridin-9-yl-N*1*,N*1*-diethyl-...)
Show SMILES CCN(CC)CCC(C)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H27N3/c1-4-24(5-2)15-14-16(3)22-21-17-10-6-8-12-19(17)23-20-13-9-7-11-18(20)21/h6-13,16H,4-5,14-15H2,1-3H3,(H,22,23)
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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 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))
BDBM50143344
PNG
(Acridin-9-yl-(1-methyl-4-morpholin-4-yl-butyl)-ami...)
Show SMILES CC(CCCN1CCOCC1)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C22H27N3O/c1-17(7-6-12-25-13-15-26-16-14-25)23-22-18-8-2-4-10-20(18)24-21-11-5-3-9-19(21)22/h2-5,8-11,17H,6-7,12-16H2,1H3,(H,23,24)
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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 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))
BDBM50143350
PNG
(Acridin-9-yl-(1-methyl-4-piperidin-1-yl-butyl)-ami...)
Show SMILES CC(CCCN1CCCCC1)Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C23H29N3/c1-18(10-9-17-26-15-7-2-8-16-26)24-23-19-11-3-5-13-21(19)25-22-14-6-4-12-20(22)23/h3-6,11-14,18H,2,7-10,15-17H2,1H3,(H,24,25)
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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 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))
BDBM50143354
PNG
((R)-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-/m1/s1
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n/an/a 1.10E+4n/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))
BDBM50143356
PNG
(CHEMBL61092 | N'-Acridin-9-yl-N,N-diethyl-butane-1...)
Show SMILES CCN(CC)CCCCNc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H27N3/c1-3-24(4-2)16-10-9-15-22-21-17-11-5-7-13-19(17)23-20-14-8-6-12-18(20)21/h5-8,11-14H,3-4,9-10,15-16H2,1-2H3,(H,22,23)
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n/an/a 1.30E+4n/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
* indicates data uncertainty>20%