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PubMed code 19897364

Compile data set for download or QSAR
Found 21 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)
BDBM50304703
PNG
(2-((3R)-1-(aminomethyl)-3-propylcyclopentyl)acetic...)
Show SMILES CCC[C@@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/m1/s1
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n/an/a 29n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304707
PNG
(2-((1R,3R)-1-(aminomethyl)-3-methylcyclopentyl)ace...)
Show SMILES C[C@@H]1CC[C@](CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9-/m1/s1
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n/an/a 30n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304702
PNG
(2-((3R)-1-(aminomethyl)-3-ethylcyclopentyl)acetic ...)
Show SMILES CC[C@@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/m1/s1
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n/an/a 53n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304693
PNG
(2-(1-(aminomethyl)-3-ethylcyclopentyl)acetic acid ...)
Show SMILES CCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)
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n/an/a 55n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304694
PNG
(2-(1-(aminomethyl)-3-propylcyclopentyl)acetic acid...)
Show SMILES CCCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)
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n/an/a 69n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304708
PNG
(2-((1S,3R)-1-(aminomethyl)-3-methylcyclopentyl)ace...)
Show SMILES C[C@@H]1CC[C@@](CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9+/m1/s1
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n/an/a 71n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50164279
PNG
((S)-3-(aminomethyl)-5-methylhexanoic acid | (S)-3-...)
Show SMILES CC(C)C[C@H](CN)CC(O)=O |r|
Show InChI InChI=1S/C8H17NO2/c1-6(2)3-7(5-9)4-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)/t7-/m0/s1
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n/an/a 80n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304692
PNG
(2-(1-(aminomethyl)-3-methylcyclopentyl)acetic acid...)
Show SMILES CC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)
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n/an/a 82n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304701
PNG
(2-((3R)-1-(aminomethyl)-3-methylcyclopentyl)acetic...)
Show SMILES C[C@@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/m1/s1
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n/an/a 88n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
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 140n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304691
PNG
(CHEMBL610734 | Gababutin)
Show SMILES NCC1(CC(O)=O)CCCC1
Show InChI InChI=1S/C8H15NO2/c9-6-8(5-7(10)11)3-1-2-4-8/h1-6,9H2,(H,10,11)
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n/an/a 420n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304695
PNG
(2-(1-(aminomethyl)-3-butylcyclopentyl)acetic acid ...)
Show SMILES CCCCC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C12H23NO2/c1-2-3-4-10-5-6-12(7-10,9-13)8-11(14)15/h10H,2-9,13H2,1H3,(H,14,15)
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n/an/a 690n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304705
PNG
(2-((3S)-1-(aminomethyl)-3-ethylcyclopentyl)acetic ...)
Show SMILES CC[C@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C10H19NO2/c1-2-8-3-4-10(5-8,7-11)6-9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10?/m0/s1
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n/an/a 706n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304696
PNG
(2-(1-(aminomethyl)-3-isobutylcyclopentyl)acetic ac...)
Show SMILES CC(C)CC1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C12H23NO2/c1-9(2)5-10-3-4-12(6-10,8-13)7-11(14)15/h9-10H,3-8,13H2,1-2H3,(H,14,15)
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n/an/a 760n/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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304706
PNG
(2-((3S)-1-(aminomethyl)-3-propylcyclopentyl)acetic...)
Show SMILES CCC[C@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C11H21NO2/c1-2-3-9-4-5-11(6-9,8-12)7-10(13)14/h9H,2-8,12H2,1H3,(H,13,14)/t9-,11?/m0/s1
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n/an/a 1.20E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304704
PNG
(2-((3S)-1-(aminomethyl)-3-methylcyclopentyl)acetic...)
Show SMILES C[C@H]1CCC(CN)(CC(O)=O)C1 |r|
Show InChI InChI=1S/C9H17NO2/c1-7-2-3-9(4-7,6-10)5-8(11)12/h7H,2-6,10H2,1H3,(H,11,12)/t7-,9?/m0/s1
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n/an/a 1.30E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304690
PNG
(2-(1-(aminomethyl)-3,3-dimethylcyclopentyl)acetic ...)
Show SMILES CC1(C)CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C10H19NO2/c1-9(2)3-4-10(6-9,7-11)5-8(12)13/h3-7,11H2,1-2H3,(H,12,13)
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n/an/a 3.18E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304698
PNG
(2-(1-(aminomethyl)-3-phenylcyclopentyl)acetic acid...)
Show SMILES NCC1(CC(O)=O)CCC(C1)c1ccccc1
Show InChI InChI=1S/C14H19NO2/c15-10-14(9-13(16)17)7-6-12(8-14)11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,16,17)
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n/an/a 5.06E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304700
PNG
(2-(1-(aminomethyl)-3-phenethylcyclopentyl)acetic a...)
Show SMILES NCC1(CC(O)=O)CCC(CCc2ccccc2)C1
Show InChI InChI=1S/C16H23NO2/c17-12-16(11-15(18)19)9-8-14(10-16)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12,17H2,(H,18,19)
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n/an/a 6.23E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304699
PNG
(2-(1-(aminomethyl)-3-benzylcyclopentyl)acetic acid...)
Show SMILES NCC1(CC(O)=O)CCC(Cc2ccccc2)C1
Show InChI InChI=1S/C15H21NO2/c16-11-15(10-14(17)18)7-6-13(9-15)8-12-4-2-1-3-5-12/h1-5,13H,6-11,16H2,(H,17,18)
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n/an/a 9.28E+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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel alpha-2 delta subunit


(Sus scrofa)
BDBM50304697
PNG
(2-(1-(aminomethyl)-3-tert-butylcyclopentyl)acetic ...)
Show SMILES CC(C)(C)C1CCC(CN)(CC(O)=O)C1
Show InChI InChI=1S/C12H23NO2/c1-11(2,3)9-4-5-12(6-9,8-13)7-10(14)15/h9H,4-8,13H2,1-3H3,(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: 362-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.089
BindingDB Entry DOI: 10.7270/Q2XD11S7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%