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Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'mortell' and Initial = 'kh'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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2.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305362
PNG
((3aR,6aS)-2-(6-phenylpyridazin-3-yl)-5-(pyridin-3-...)
Show SMILES C(N1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1)c1cccnc1 |r|
Show InChI InChI=1S/C22H23N5/c1-2-6-18(7-3-1)21-8-9-22(25-24-21)27-15-19-13-26(14-20(19)16-27)12-17-5-4-10-23-11-17/h1-11,19-20H,12-16H2/t19-,20+
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3.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179735
PNG
(4-(3,4-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1ccc(Cl)c(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-2-1-7(5-9(8)13)6-17-4-3-10(14)11(15)16/h1-2,5,10H,3-4,6,14H2,(H,15,16)
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3.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179703
PNG
(4-(4-chlorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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4.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179700
PNG
(4-(4-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1ccc(Br)cc1)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-3-1-8(2-4-9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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4.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179710
PNG
(4-(2,3-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cccc(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-3-1-2-7(10(8)13)6-17-5-4-9(14)11(15)16/h1-3,9H,4-6,14H2,(H,15,16)
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5.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179732
PNG
(2-amino-4-(2-methyl-benzylsulfanyl)-butyric acid |...)
Show SMILES Cc1ccccc1CSCCC(N)C(O)=O
Show InChI InChI=1S/C12H17NO2S/c1-9-4-2-3-5-10(9)8-16-7-6-11(13)12(14)15/h2-5,11H,6-8,13H2,1H3,(H,14,15)
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7.60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305363
PNG
(CHEMBL601061 | N-methyl-1-(6-phenylpyridazin-3-yl)...)
Show SMILES CN(Cc1cccnc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H23N5/c1-25(15-17-6-5-12-22-14-17)19-11-13-26(16-19)21-10-9-20(23-24-21)18-7-3-2-4-8-18/h2-10,12,14,19H,11,13,15-16H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305365
PNG
(CHEMBL590617 | N-methyl-1-(6-phenylpyridazin-3-yl)...)
Show SMILES CN(Cc1ccncc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H23N5/c1-25(15-17-9-12-22-13-10-17)19-11-14-26(16-19)21-8-7-20(23-24-21)18-5-3-2-4-6-18/h2-10,12-13,19H,11,14-16H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305367
PNG
(CHEMBL590618 | N-((6-chloropyridin-3-yl)methyl)-N-...)
Show SMILES CN(Cc1ccc(Cl)nc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H22ClN5/c1-26(14-16-7-9-20(22)23-13-16)18-11-12-27(15-18)21-10-8-19(24-25-21)17-5-3-2-4-6-17/h2-10,13,18H,11-12,14-15H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305361
PNG
(CHEMBL610751 | N-methyl-1-(6-phenylpyridazin-3-yl)...)
Show SMILES CN(Cc1ccccn1)C1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C21H23N5/c1-25(15-18-9-5-6-13-22-18)19-12-14-26(16-19)21-11-10-20(23-24-21)17-7-3-2-4-8-17/h2-11,13,19H,12,14-16H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305372
PNG
(CHEMBL589648 | N-methyl-1-(6-phenylpyridazin-3-yl)...)
Show SMILES CNC1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C15H18N4/c1-16-13-9-10-19(11-13)15-8-7-14(17-18-15)12-5-3-2-4-6-12/h2-8,13,16H,9-11H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305359
PNG
(CHEMBL591097 | N-benzyl-N-methyl-1-(6-phenylpyrida...)
Show SMILES CN(Cc1ccccc1)C1CCN(C1)c1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C22H24N4/c1-25(16-18-8-4-2-5-9-18)20-14-15-26(17-20)22-13-12-21(23-24-22)19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3
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>10n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278956
PNG
((3aR,6aS)-2-methyl-5-(6-phenylpyridazin-3-yl)octah...)
Show SMILES CN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/t14-,15+
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11n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179701
PNG
(4-(2,3,4-trichlorobenzylthio)-2-aminobutanoic acid...)
Show SMILES NC(CCSCc1ccc(Cl)c(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C11H12Cl3NO2S/c12-7-2-1-6(9(13)10(7)14)5-18-4-3-8(15)11(16)17/h1-2,8H,3-5,15H2,(H,16,17)
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278955
PNG
(CHEMBL506103 | CHEMBL610752 | cis-2-(6-Phenyl-pyri...)
Show SMILES C1NC[C@@H]2CN(C[C@H]12)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C16H18N4/c1-2-4-12(5-3-1)15-6-7-16(19-18-15)20-10-13-8-17-9-14(13)11-20/h1-7,13-14,17H,8-11H2/t13-,14+
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18n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179689
PNG
(4-(3,5-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cc(Cl)cc(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-3-7(4-9(13)5-8)6-17-2-1-10(14)11(15)16/h3-5,10H,1-2,6,14H2,(H,15,16)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179707
PNG
(4-(3-fluorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1cccc(F)c1)C(O)=O
Show InChI InChI=1S/C11H14FNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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19n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179711
PNG
(4-(2-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1ccccc1Br)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-4-2-1-3-8(9)7-16-6-5-10(13)11(14)15/h1-4,10H,5-7,13H2,(H,14,15)
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20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179736
PNG
(4-(2,5-dichlorobenzylthio)-2-aminobutanoic acid | ...)
Show SMILES NC(CCSCc1cc(Cl)ccc1Cl)C(O)=O
Show InChI InChI=1S/C11H13Cl2NO2S/c12-8-1-2-9(13)7(5-8)6-17-4-3-10(14)11(15)16/h1-2,5,10H,3-4,6,14H2,(H,15,16)
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21n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179722
PNG
(4-(3-chlorobenzylthio)-2-aminobutanoic acid | CHEM...)
Show SMILES NC(CCSCc1cccc(Cl)c1)C(O)=O
Show InChI InChI=1S/C11H14ClNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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26n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179713
PNG
((S)-2-amino-4-(benzylthio)butanoic acid | CHEMBL38...)
Show SMILES N[C@@H](CCSCc1ccccc1)C(O)=O
Show InChI InChI=1S/C11H15NO2S/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2,(H,13,14)/t10-/m0/s1
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28n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179715
PNG
(4-(2-(trifluoromethyl)benzylthio)-2-aminobutanoic ...)
Show SMILES NC(CCSCc1ccccc1C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H14F3NO2S/c13-12(14,15)9-4-2-1-3-8(9)7-19-6-5-10(16)11(17)18/h1-4,10H,5-7,16H2,(H,17,18)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179727
PNG
(4-(3-bromobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1cccc(Br)c1)C(O)=O
Show InChI InChI=1S/C11H14BrNO2S/c12-9-3-1-2-8(6-9)7-16-5-4-10(13)11(14)15/h1-3,6,10H,4-5,7,13H2,(H,14,15)
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31n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179690
PNG
(4-(3-nitrobenzylthio)-2-aminobutanoic acid | CHEMB...)
Show SMILES NC(CCSCc1cccc(c1)[N+]([O-])=O)C(O)=O
Show InChI InChI=1S/C11H14N2O4S/c12-10(11(14)15)4-5-18-7-8-2-1-3-9(6-8)13(16)17/h1-3,6,10H,4-5,7,12H2,(H,14,15)
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179696
PNG
(2-amino-2-(3-bromophenyl)acetic acid | CHEMBL38237...)
Show SMILES NC(C(O)=O)c1cccc(Br)c1
Show InChI InChI=1S/C8H8BrNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
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39n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305369
PNG
((1S,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)
Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22-/m1/s1
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42n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179731
PNG
(2-amino-2-(3-chlorophenyl)acetic acid | CHEMBL2046...)
Show SMILES NC(C(O)=O)c1cccc(Cl)c1
Show InChI InChI=1S/C8H8ClNO2/c9-6-3-1-2-5(4-6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
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54n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179718
PNG
(CHEMBL380671 | rac-2-amino-5-cyclohexylpentanoic a...)
Show SMILES NC(CCCC1CCCCC1)C(O)=O
Show InChI InChI=1S/C11H21NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h9-10H,1-8,12H2,(H,13,14)
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60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179712
PNG
((S)-2-amino-2-cyclohexylacetic acid | CHEMBL382372...)
Show SMILES N[C@@H](C1CCCCC1)C(O)=O
Show InChI InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1
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60n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179737
PNG
(4-(3,4-dimethylbenzylthio)-2-aminobutanoic acid | ...)
Show SMILES Cc1ccc(CSCCC(N)C(O)=O)cc1C
Show InChI InChI=1S/C13H19NO2S/c1-9-3-4-11(7-10(9)2)8-17-6-5-12(14)13(15)16/h3-4,7,12H,5-6,8,14H2,1-2H3,(H,15,16)
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66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179698
PNG
(4-(4-tert-butylbenzylthio)-2-aminobutanoic acid | ...)
Show SMILES CC(C)(C)c1ccc(CSCCC(N)C(O)=O)cc1
Show InChI InChI=1S/C15H23NO2S/c1-15(2,3)12-6-4-11(5-7-12)10-19-9-8-13(16)14(17)18/h4-7,13H,8-10,16H2,1-3H3,(H,17,18)
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79n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179725
PNG
((S)-2-amino-3-cyclohexylpropanoic acid | 2-AMINO-3...)
Show SMILES N[C@@H](CC1CCCCC1)C(O)=O
Show InChI InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1
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90n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179717
PNG
(2-amino-2-(2,3-difluorophenyl)acetic acid | CHEMBL...)
Show SMILES NC(C(O)=O)c1cccc(F)c1F
Show InChI InChI=1S/C8H7F2NO2/c9-5-3-1-2-4(6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
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96n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179693
PNG
((S)-2-amino-4-(ethylthio)butanoic acid | 2-AMINO-4...)
Show SMILES CCSCC[C@H](N)C(O)=O
Show InChI InChI=1S/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179728
PNG
(4-(2,4-bis(trifluoromethyl)benzylthio)-2-aminobuta...)
Show SMILES NC(CCSCc1ccc(cc1C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C13H13F6NO2S/c14-12(15,16)8-2-1-7(9(5-8)13(17,18)19)6-23-4-3-10(20)11(21)22/h1-2,5,10H,3-4,6,20H2,(H,21,22)
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100n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305366
PNG
((3aR,6aS)-2-((6-chloropyridin-3-yl)methyl)-5-(6-ph...)
Show SMILES Clc1ccc(CN2C[C@H]3CN(C[C@H]3C2)c2ccc(nn2)-c2ccccc2)cn1 |r|
Show InChI InChI=1S/C22H22ClN5/c23-21-8-6-16(10-24-21)11-27-12-18-14-28(15-19(18)13-27)22-9-7-20(25-26-22)17-4-2-1-3-5-17/h1-10,18-19H,11-15H2/t18-,19+
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102n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179697
PNG
((S)-2-amino-3-(benzylthio)propanoic acid | CHEMBL2...)
Show SMILES N[C@H](CSCc1ccccc1)C(O)=O
Show InChI InChI=1S/C10H13NO2S/c11-9(10(12)13)7-14-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m1/s1
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110n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
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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120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179694
PNG
(4-(3-(trifluoromethyl)benzylthio)-2-aminobutanoic ...)
Show SMILES NC(CCSCc1cccc(c1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C12H14F3NO2S/c13-12(14,15)9-3-1-2-8(6-9)7-19-5-4-10(16)11(17)18/h1-3,6,10H,4-5,7,16H2,(H,17,18)
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120n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179709
PNG
((S)-2-amino-2-phenylpropanoic acid | CHEMBL203931)
Show SMILES CC(N)(C(O)=O)c1ccccc1
Show InChI InChI=1S/C9H11NO2/c1-9(10,8(11)12)7-5-3-2-4-6-7/h2-6H,10H2,1H3,(H,11,12)
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170n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179721
PNG
((2S)-amino(phenyl)ethanoic acid | (S)-phenylglycin...)
Show SMILES N[C@H](C(O)=O)c1ccccc1
Show InChI InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m0/s1
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180n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179734
PNG
(2-amino-2-(thiophen-2-yl)acetic acid | CHEMBL38257...)
Show SMILES NC(C(O)=O)c1cccs1
Show InChI InChI=1S/C6H7NO2S/c7-5(6(8)9)4-2-1-3-10-4/h1-3,5H,7H2,(H,8,9)
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210n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179723
PNG
(2-amino-2-(2-fluorophenyl)acetic acid | CHEMBL3837...)
Show SMILES NC(C(O)=O)c1ccccc1F
Show InChI InChI=1S/C8H8FNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4,7H,10H2,(H,11,12)
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260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179706
PNG
(2-amino-4-(biphenyl-4-ylmethylsulfanyl)-butyric ac...)
Show SMILES NC(CCSCc1ccc(cc1)-c1ccccc1)C(O)=O
Show InChI InChI=1S/C17H19NO2S/c18-16(17(19)20)10-11-21-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12,18H2,(H,19,20)
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260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179692
PNG
(2-amino-2-(3-chloro-4-fluorophenyl)acetic acid | C...)
Show SMILES NC(C(O)=O)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C8H7ClFNO2/c9-5-3-4(1-2-6(5)10)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
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310n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179726
PNG
(4-(3-(trifluoromethoxy)benzylthio)-2-aminobutanoic...)
Show SMILES NC(CCSCc1cccc(OC(F)(F)F)c1)C(O)=O
Show InChI InChI=1S/C12H14F3NO3S/c13-12(14,15)19-9-3-1-2-8(6-9)7-20-5-4-10(16)11(17)18/h1-3,6,10H,4-5,7,16H2,(H,17,18)
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320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50305368
PNG
((1R,3aR,6aR)-2-methyl-5-(6-phenylpyridazin-3-yl)-1...)
Show SMILES CN1C[C@@H]2CN(C[C@@H]2[C@@H]1COc1cccnc1)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C23H25N5O/c1-27-13-18-14-28(15-20(18)22(27)16-29-19-8-5-11-24-12-19)23-10-9-21(25-26-23)17-6-3-2-4-7-17/h2-12,18,20,22H,13-16H2,1H3/t18-,20+,22+/m1/s1
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320n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50278957
PNG
(CHEMBL498262 | CHEMBL594590 | cis-2-Ethyl-5-(6-phe...)
Show SMILES CCN1C[C@H]2CN(C[C@H]2C1)c1ccc(nn1)-c1ccccc1 |r|
Show InChI InChI=1S/C18H22N4/c1-2-21-10-15-12-22(13-16(15)11-21)18-9-8-17(19-20-18)14-6-4-3-5-7-14/h3-9,15-16H,2,10-13H2,1H3/t15-,16+
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331n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]585539 from alpha7 nAChR in rat brain


Bioorg Med Chem Lett 20: 104-7 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.023
BindingDB Entry DOI: 10.7270/Q2RF5VZQ
More data for this
Ligand-Target Pair
Voltage-gated calcium channel alpha2/delta subunit 1


(Mus musculus)
BDBM50179702
PNG
(4-(3,5-dimethylbenzylthio)-2-aminobutanoic acid | ...)
Show SMILES Cc1cc(C)cc(CSCCC(N)C(O)=O)c1
Show InChI InChI=1S/C13H19NO2S/c1-9-5-10(2)7-11(6-9)8-17-4-3-12(14)13(15)16/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16)
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450n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]L-leucine from alpha2delta containing calcium channel in murine brain


Bioorg Med Chem Lett 16: 1138-41 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.108
BindingDB Entry DOI: 10.7270/Q2XS5TXV
More data for this
Ligand-Target Pair
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