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PubMed code 20005103

Compile data set for download or QSAR
Found 18 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 alpha-2 delta subunit


(Sus scrofa)
BDBM50305900
PNG
((+)-2-((1S,5S,6R)-6-(aminomethyl)bicyclo[3.2.0]hep...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@@H]2CCC[C@H]12 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8-,10-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305887
PNG
(3,4-trans-2-(1-(aminomethyl)-3,4-dimethylcyclopent...)
Show SMILES C[C@H]1CC(CN)(CC(O)=O)C[C@@H]1C |r|
Show InChI InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305894
PNG
((+/-)-2-((6S)-6-(aminomethyl)bicyclo[3.2.0]heptan-...)
Show SMILES NC[C@]1(CC(O)=O)CC2CCCC12 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7?,8?,10-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305885
PNG
(CHEMBL595172 | cis-2-((1R,5S)-3-(aminomethyl)bicyc...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@@H]2CC[C@@H]2C1 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)3-7-1-2-8(7)4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10-
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n/an/a 38n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305899
PNG
((-)-2-((1R,5R,6S)-6-(aminomethyl)bicyclo[3.2.0]hep...)
Show SMILES NC[C@]1(CC(O)=O)C[C@H]2CCC[C@@H]12 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7-,8-,10-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305886
PNG
(2-((3R,4S)-1-(aminomethyl)-3,4-dimethylcyclopentyl...)
Show SMILES C[C@H]1C[C@](CN)(CC(O)=O)C[C@H]1C |r|
Show InChI InChI=1S/C10H19NO2/c1-7-3-10(6-11,4-8(7)2)5-9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t7-,8+,10+
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n/an/a 107n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305884
PNG
(CHEMBL609569 | cis-2-((1R,5S)-3-(aminomethyl)bicyc...)
Show SMILES NC[C@]1(CC(O)=O)C[C@@H]2CC[C@@H]2C1 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)3-7-1-2-8(7)4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10+
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n/an/a 332n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305897
PNG
((+/-)-2-((7S)-7-(aminomethyl)bicyclo[4.2.0]octan-7...)
Show SMILES NC[C@]1(CC(O)=O)CC2CCCCC12 |r|
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9?,11-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305892
PNG
(2-((2R,3aR)-2-(aminomethyl)octahydro-1H-inden-2-yl...)
Show SMILES NC[C@]1(CC(O)=O)C[C@H]2CCCC[C@H]2C1 |r|
Show InChI InChI=1S/C12H21NO2/c13-8-12(7-11(14)15)5-9-3-1-2-4-10(9)6-12/h9-10H,1-8,13H2,(H,14,15)/t9-,10+,12-
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n/an/a 720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305890
PNG
(2-((2R,3aR)-2-(aminomethyl)octahydropentalen-2-yl)...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@@H]2CCC[C@@H]2C1 |r|
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)4-8-2-1-3-9(8)5-11/h8-9H,1-7,12H2,(H,13,14)/t8-,9+,11-
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n/an/a 2.60E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305895
PNG
((+/-)-2-((6R)-6-(aminomethyl)bicyclo[3.2.0]heptan-...)
Show SMILES NC[C@@]1(CC(O)=O)CC2CCCC12 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)4-7-2-1-3-8(7)10/h7-8H,1-6,11H2,(H,12,13)/t7?,8?,10-/m0/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305884
PNG
(CHEMBL609569 | cis-2-((1R,5S)-3-(aminomethyl)bicyc...)
Show SMILES NC[C@]1(CC(O)=O)C[C@@H]2CC[C@@H]2C1 |r|
Show InChI InChI=1S/C10H17NO2/c11-6-10(5-9(12)13)3-7-1-2-8(7)4-10/h7-8H,1-6,11H2,(H,12,13)/t7-,8+,10+
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305898
PNG
((+/-)-2-((7R)-7-(aminomethyl)bicyclo[4.2.0]octan-7...)
Show SMILES NC[C@@]1(CC(O)=O)CC2CCCCC12 |r|
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-8-3-1-2-4-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9?,11-/m0/s1
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n/an/a 3.09E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305896
PNG
((+/-)-2-((1S)-1-(aminomethyl)octahydropentalen-1-y...)
Show SMILES NC[C@]1(CC(O)=O)CCC2CCCC12 |r|
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)5-4-8-2-1-3-9(8)11/h8-9H,1-7,12H2,(H,13,14)/t8?,9?,11-/m1/s1
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n/an/a 7.18E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305889
PNG
((+/-)-2-(2-(aminomethyl)octahydro-1H-inden-2-yl)ac...)
Show SMILES NCC1(CC(O)=O)CC2CCCCC2C1
Show InChI InChI=1S/C12H21NO2/c13-8-12(7-11(14)15)5-9-3-1-2-4-10(9)6-12/h9-10H,1-8,13H2,(H,14,15)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305891
PNG
(2-((2S,3aR)-2-(aminomethyl)octahydropentalen-2-yl)...)
Show SMILES NC[C@]1(CC(O)=O)C[C@@H]2CCC[C@@H]2C1 |r|
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)4-8-2-1-3-9(8)5-11/h8-9H,1-7,12H2,(H,13,14)/t8-,9+,11+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305888
PNG
((+/-)-2-(2-(aminomethyl)octahydropentalen-2-yl)ace...)
Show SMILES NCC1(CC(O)=O)CC2CCCC2C1
Show InChI InChI=1S/C11H19NO2/c12-7-11(6-10(13)14)4-8-2-1-3-9(8)5-11/h8-9H,1-7,12H2,(H,13,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50305893
PNG
(2-((2S,3aR)-2-(aminomethyl)octahydro-1H-inden-2-yl...)
Show SMILES NC[C@@]1(CC(O)=O)C[C@H]2CCCC[C@H]2C1 |r|
Show InChI InChI=1S/C12H21NO2/c13-8-12(7-11(14)15)5-9-3-1-2-4-10(9)6-12/h9-10H,1-8,13H2,(H,14,15)/t9-,10+,12+
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]gabapentin from calcium channel alpha2delta in pig cerebral cortex membrane after 30 mins


Bioorg Med Chem Lett 20: 461-4 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.118
BindingDB Entry DOI: 10.7270/Q25H7GCQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%