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Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with Target = 'Voltage-dependent calcium channel subunit alpha-2/delta-2'   
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-2


(Homo sapiens (Human))
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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Article
PubMed
99n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50557449
PNG
(CHEMBL4744000)
Show SMILES [H][C@@]12CCCN1c1nc(NCC)ncc1C(=O)N(C2)c1cccc(c1)-c1noc(C)n1 |r|
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2.15E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM436318
PNG
(2-(ethylamino)-9- methyl-6-(3-(5-methyl- 1,3,4-oxa...)
Show SMILES CCNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
Show InChI InChI=1S/C19H21N7O2/c1-4-20-19-21-11-15-16(22-19)25(3)8-9-26(18(15)27)14-7-5-6-13(10-14)17-24-23-12(2)28-17/h5-7,10-11H,4,8-9H2,1-3H3,(H,20,21,22)
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2.97E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM436321
PNG
(9-methyl-6-(3-(5- methyl-1,3,4- oxadiazol-2-yl)phe...)
Show SMILES CNc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
Show InChI InChI=1S/C18H19N7O2/c1-11-22-23-16(27-11)12-5-4-6-13(9-12)25-8-7-24(3)15-14(17(25)26)10-20-18(19-2)21-15/h4-6,9-10H,7-8H2,1-3H3,(H,19,20,21)
KEGG

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM436247
PNG
(9-methyl-6-(3-(5- methyl-1,3,4- oxadiazol-2- yl)ph...)
Show SMILES CSc1ncc2c(n1)N(C)CCN(c1cccc(c1)-c1nnc(C)o1)C2=O
Show InChI InChI=1S/C18H18N6O2S/c1-11-21-22-16(26-11)12-5-4-6-13(9-12)24-8-7-23(2)15-14(17(24)25)10-19-18(20-15)27-3/h4-6,9-10H,7-8H2,1-3H3
KEGG

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM388642
PNG
(Reboxe- tine | US9944618, Compound ID No. 178)
Show SMILES CCOc1ccccc1O[C@@H]([C@H]1CNCCO1)c1ccccc1 |r|
Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-gabapentin from human Cav alpha2delta2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01867
BindingDB Entry DOI: 10.7270/Q2JW8JKT
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348465
PNG
(CHEMBL1801177)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11,20H2,1-3H3/t14-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348456
PNG
(CHEMBL1801206)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1
Show InChI InChI=1S/C19H23N5O/c1-4-25-16-9-7-15(8-10-16)24-14(3)17-13(2)20-21-19(18(17)22-24)23-11-5-6-12-23/h7-10H,4-6,11-12H2,1-3H3
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348457
PNG
(CHEMBL1801207)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC1
Show InChI InChI=1S/C18H21N5O/c1-4-24-15-8-6-14(7-9-15)23-13(3)16-12(2)19-20-18(17(16)21-23)22-10-5-11-22/h6-9H,4-5,10-11H2,1-3H3
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n/an/a 59n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348467
PNG
(CHEMBL1801179)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@H](C1)OC |r|
Show InChI InChI=1S/C20H25N5O2/c1-5-27-16-8-6-15(7-9-16)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-10-17(12-24)26-4/h6-9,17H,5,10-12H2,1-4H3/t17-/m1/s1
KEGG

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n/an/a 79n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348474
PNG
(CHEMBL1801186)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C19H22FN5O/c1-4-26-16-7-5-15(6-8-16)25-13(3)17-12(2)21-22-19(18(17)23-25)24-10-9-14(20)11-24/h5-8,14H,4,9-11H2,1-3H3/t14-/m1/s1
KEGG

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n/an/a 85n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348468
PNG
(CHEMBL1801180)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC
Show InChI InChI=1S/C19H23N5O2/c1-5-26-15-8-6-14(7-9-15)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-16(11-23)25-4/h6-9,16H,5,10-11H2,1-4H3
KEGG

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n/an/a 126n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348478
PNG
(CHEMBL1801205)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N(C)C
Show InChI InChI=1S/C17H21N5O/c1-6-23-14-9-7-13(8-10-14)22-12(3)15-11(2)18-19-17(21(4)5)16(15)20-22/h7-10H,6H2,1-5H3
KEGG

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n/an/a 158n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348455
PNG
(CHEMBL1801192)
Show SMILES CCOc1ccc(c(F)c1)-n1nc2c(nnc(C)c2c1C)N1CC(C1)OC
Show InChI InChI=1S/C19H22FN5O2/c1-5-27-13-6-7-16(15(20)8-13)25-12(3)17-11(2)21-22-19(18(17)23-25)24-9-14(10-24)26-4/h6-8,14H,5,9-10H2,1-4H3
KEGG

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n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348471
PNG
(CHEMBL1801183)
Show SMILES CC(C)Oc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCC1
Show InChI InChI=1S/C20H25N5O/c1-13(2)26-17-9-7-16(8-10-17)25-15(4)18-14(3)21-22-20(19(18)23-25)24-11-5-6-12-24/h7-10,13H,5-6,11-12H2,1-4H3
KEGG

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n/an/a 316n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348464
PNG
(CHEMBL1801176)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(O)CC1
Show InChI InChI=1S/C20H25N5O2/c1-4-27-17-7-5-15(6-8-17)25-14(3)18-13(2)21-22-20(19(18)23-25)24-11-9-16(26)10-12-24/h5-8,16,26H,4,9-12H2,1-3H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348470
PNG
(CHEMBL1801182)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N5O/c1-12-16-13(2)27(14-5-7-15(8-6-14)28-11-19(20,21)22)25-17(16)18(24-23-12)26-9-3-4-10-26/h5-8H,3-4,9-11H2,1-2H3
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n/an/a 398n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348458
PNG
(CHEMBL1801208)
Show SMILES CCOc1ccc(cc1)-n1nc2c(NC)nnc(C)c2c1C
Show InChI InChI=1S/C16H19N5O/c1-5-22-13-8-6-12(7-9-13)21-11(3)14-10(2)18-19-16(17-4)15(14)20-21/h6-9H,5H2,1-4H3,(H,17,19)
KEGG

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n/an/a 537n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348453
PNG
(CHEMBL1801188)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CC[C@@H](F)C1)-c1ccc(OCC(F)(F)F)cc1 |r|
Show InChI InChI=1S/C19H19F4N5O/c1-11-16-12(2)28(14-3-5-15(6-4-14)29-10-19(21,22)23)26-17(16)18(25-24-11)27-8-7-13(20)9-27/h3-6,13H,7-10H2,1-2H3/t13-/m1/s1
KEGG

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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348472
PNG
(CHEMBL1801184)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N5/c1-10-15-11(2)24(14-6-5-12(18)9-13(14)19)22-16(15)17(21-20-10)23-7-3-4-8-23/h5-6,9H,3-4,7-8H2,1-2H3
KEGG

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n/an/a 631n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348473
PNG
(CHEMBL1801185)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(Cl)cc1OC(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O/c1-10-15-11(2)27(13-6-5-12(19)9-14(13)28-18(20,21)22)25-16(15)17(24-23-10)26-7-3-4-8-26/h5-6,9H,3-4,7-8H2,1-2H3
KEGG

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PubMed
n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348475
PNG
(CHEMBL1801187)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCC(F)(F)C1
Show InChI InChI=1S/C19H21F2N5O/c1-4-27-15-7-5-14(6-8-15)26-13(3)16-12(2)22-23-18(17(16)24-26)25-10-9-19(20,21)11-25/h5-8H,4,9-11H2,1-3H3
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n/an/a 794n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348459
PNG
(CHEMBL1801209)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCCC1
Show InChI InChI=1S/C20H25N5O/c1-4-26-17-10-8-16(9-11-17)25-15(3)18-14(2)21-22-20(19(18)23-25)24-12-6-5-7-13-24/h8-11H,4-7,12-13H2,1-3H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348463
PNG
(CHEMBL1801213)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCNCC1
Show InChI InChI=1S/C20H26N6O/c1-4-27-17-8-6-16(7-9-17)26-15(3)18-14(2)22-23-20(19(18)24-26)25-12-5-10-21-11-13-25/h6-9,21H,4-5,10-13H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348461
PNG
(CHEMBL1801211)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCNCC1
Show InChI InChI=1S/C19H24N6O/c1-4-26-16-7-5-15(6-8-16)25-14(3)17-13(2)21-22-19(18(17)23-25)24-11-9-20-10-12-24/h5-8,20H,4,9-12H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348462
PNG
(CHEMBL1801212)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCN(C)CC1
Show InChI InChI=1S/C20H26N6O/c1-5-27-17-8-6-16(7-9-17)26-15(3)18-14(2)21-22-20(19(18)23-26)25-12-10-24(4)11-13-25/h6-9H,5,10-13H2,1-4H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348466
PNG
(CHEMBL1801178)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CC[C@@H](O)C1 |r|
Show InChI InChI=1S/C19H23N5O2/c1-4-26-16-7-5-14(6-8-16)24-13(3)17-12(2)20-21-19(18(17)22-24)23-10-9-15(25)11-23/h5-8,15,25H,4,9-11H2,1-3H3/t15-/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348469
PNG
(CHEMBL1801181)
Show SMILES Cc1n(nc2c(nnc(C)c12)N1CCCC1)-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H18F3N5O/c1-11-15-12(2)26(13-5-7-14(8-6-13)27-18(19,20)21)24-16(15)17(23-22-11)25-9-3-4-10-25/h5-8H,3-4,9-10H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348476
PNG
(CHEMBL1801189)
Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(OCC(F)(F)F)cc1
Show InChI InChI=1S/C19H20F3N5O2/c1-11-16-12(2)27(13-4-6-14(7-5-13)29-10-19(20,21)22)25-17(16)18(24-23-11)26-8-15(9-26)28-3/h4-7,15H,8-10H2,1-3H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348460
PNG
(CHEMBL1801210)
Show SMILES CCOc1ccc(cc1)-n1nc2c(nnc(C)c2c1C)N1CCCCCC1
Show InChI InChI=1S/C21H27N5O/c1-4-27-18-11-9-17(10-12-18)26-16(3)19-15(2)22-23-21(20(19)24-26)25-13-7-5-6-8-14-25/h9-12H,4-8,13-14H2,1-3H3
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n/an/a 2.13E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348454
PNG
(CHEMBL1801191)
Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1OC(F)(F)F
Show InChI InChI=1S/C18H17ClF3N5O2/c1-9-15-10(2)27(13-5-4-11(19)6-14(13)29-18(20,21)22)25-16(15)17(24-23-9)26-7-12(8-26)28-3/h4-6,12H,7-8H2,1-3H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair
Voltage-dependent calcium channel subunit alpha-2/delta-2


(Homo sapiens (Human))
BDBM50348477
PNG
(CHEMBL1801190)
Show SMILES COC1CN(C1)c1nnc(C)c2c(C)n(nc12)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C17H17Cl2N5O/c1-9-15-10(2)24(14-5-4-11(18)6-13(14)19)22-16(15)17(21-20-9)23-7-12(8-23)25-3/h4-6,12H,7-8H2,1-3H3
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n/an/a 6.31E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity at voltage-gated calcium channel subunit alpha2delta2


Bioorg Med Chem Lett 20: 4683-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.05.026
BindingDB Entry DOI: 10.7270/Q2GQ6Z3D
More data for this
Ligand-Target Pair