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Compile Data Set for Download or QSAR

Found 26 hits of ic50 for UniProtKB: Q02294   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
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n/an/a 40.7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50386813
PNG
(CHEMBL2047726)
Show SMILES FC(F)(F)c1cccc(CN2C[C@@H]3CC[C@H](NC(=O)C(C4CCCCC4)C4CCCCC4)[C@@H]3C2)c1 |r|
Show InChI InChI=1S/C29H41F3N2O/c30-29(31,32)24-13-7-8-20(16-24)17-34-18-23-14-15-26(25(23)19-34)33-28(35)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h7-8,13,16,21-23,25-27H,1-6,9-12,14-15,17-19H2,(H,33,35)/t23-,25+,26-/m0/s1
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n/an/a 41n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 expressed in HEK293 cells under inactivating depolarizing conditions at holding potential of -115mV and stepped to 0 mV once...


Bioorg Med Chem 20: 4128-39 (2012)


Article DOI: 10.1016/j.bmc.2012.04.057
BindingDB Entry DOI: 10.7270/Q2TQ62JK
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50438747
PNG
(CHEMBL2414787)
Show SMILES CC(C)N[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H36F3N3O3S/c1-15(2)28-21(12-23(3,4)5)22(31)29-20-11-6-16-13-30(14-19(16)20)34(32,33)18-9-7-17(8-10-18)24(25,26)27/h7-10,15-16,19-21,28H,6,11-14H2,1-5H3,(H,29,31)/t16-,19+,20+,21+/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com

Curated by ChEMBL


Assay Description
Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under hyperpolarized condition by whole cell patch-clamp manual electrophysiology a...


Bioorg Med Chem Lett 23: 4857-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.074
BindingDB Entry DOI: 10.7270/Q2280915
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434732
PNG
(CHEMBL2385364)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO)CN1 |r|
Show InChI InChI=1S/C22H30N2O/c1-18-17-24(21(16-23-18)14-8-9-15-25)22(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21-23,25H,8-9,14-17H2,1H3/t18-,21-/m1/s1
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n/an/a 850n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50438746
PNG
(CHEMBL2414771)
Show SMILES CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H30F3N3O/c1-13(2)10-19(25-3)20(28)26-18-9-4-14-11-27(12-17(14)18)16-7-5-15(6-8-16)21(22,23)24/h5-8,13-14,17-19,25H,4,9-12H2,1-3H3,(H,26,28)/t14-,17+,18+,19+/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com

Curated by ChEMBL


Assay Description
Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under depolarized condition by whole cell patch-clamp manual electrophysiology assa...


Bioorg Med Chem Lett 23: 4857-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.074
BindingDB Entry DOI: 10.7270/Q2280915
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434737
PNG
(CHEMBL2385359)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1 |r|
Show InChI InChI=1S/C28H44N2OSi/c1-23-22-30(27(24-15-9-7-10-16-24)25-17-11-8-12-18-25)26(21-29-23)19-13-14-20-31-32(5,6)28(2,3)4/h7-12,15-18,23,26-27,29H,13-14,19-22H2,1-6H3/t23-,26-/m1/s1
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n/an/a 1.07E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434738
PNG
(CHEMBL2385358)
Show SMILES CCCCC[C@@H]1CN[C@H](C)CN1C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C23H32N2/c1-3-4-7-16-22-17-24-19(2)18-25(22)23(20-12-8-5-9-13-20)21-14-10-6-11-15-21/h5-6,8-15,19,22-24H,3-4,7,16-18H2,1-2H3/t19-,22-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434735
PNG
(CHEMBL2385361)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C34H48N2O3SSi/c1-27-20-22-32(23-21-27)40(37,38)36-26-31(19-14-24-39-41(6,7)34(3,4)5)35(25-28(36)2)33(29-15-10-8-11-16-29)30-17-12-9-13-18-30/h8-13,15-18,20-23,28,31,33H,14,19,24-26H2,1-7H3/t28-,31-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434742
PNG
(CHEMBL2385371)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C25H28N2/c1-20-19-27(24(18-26-20)17-21-11-5-2-6-12-21)25(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-26H,17-19H2,1H3/t20-,24-/m1/s1
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n/an/a 4.34E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50438746
PNG
(CHEMBL2414771)
Show SMILES CN[C@@H](CC(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C21H30F3N3O/c1-13(2)10-19(25-3)20(28)26-18-9-4-14-11-27(12-17(14)18)16-7-5-15(6-8-16)21(22,23)24/h5-8,13-14,17-19,25H,4,9-12H2,1-3H3,(H,26,28)/t14-,17+,18+,19+/m1/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com

Curated by ChEMBL


Assay Description
Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under hyperpolarized condition by whole cell patch-clamp manual electrophysiology a...


Bioorg Med Chem Lett 23: 4857-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.074
BindingDB Entry DOI: 10.7270/Q2280915
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434734
PNG
(CHEMBL2385362)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C35H50N2O3SSi/c1-28-21-23-33(24-22-28)41(38,39)37-27-32(20-14-15-25-40-42(6,7)35(3,4)5)36(26-29(37)2)34(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-13,16-19,21-24,29,32,34H,14-15,20,25-27H2,1-7H3/t29-,32-/m1/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434741
PNG
(CHEMBL2385372)
Show SMILES C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1 |r|
Show InChI InChI=1S/C22H40N2OSi/c1-19-17-24(18-20-12-8-7-9-13-20)21(16-23-19)14-10-11-15-25-26(5,6)22(2,3)4/h7-9,12-13,19,21,23H,10-11,14-18H2,1-6H3/t19-,21-/m1/s1
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n/an/a 4.85E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434747
PNG
(CHEMBL2385366)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C19H23FN2/c1-15-13-22(14-17-7-9-18(20)10-8-17)19(12-21-15)11-16-5-3-2-4-6-16/h2-10,15,19,21H,11-14H2,1H3/t15-,19-/m1/s1
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n/an/a 8.37E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434731
PNG
(CHEMBL2385365)
Show SMILES C[C@@H]1CN(Cc2ccccc2)[C@H](CCCCO)CN1 |r|
Show InChI InChI=1S/C16H26N2O/c1-14-12-18(13-15-7-3-2-4-8-15)16(11-17-14)9-5-6-10-19/h2-4,7-8,14,16-17,19H,5-6,9-13H2,1H3/t14-,16-/m1/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434740
PNG
(CHEMBL2385356)
Show SMILES CCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1 |r|
Show InChI InChI=1S/C17H28N2/c1-3-4-6-11-17-12-18-15(2)13-19(17)14-16-9-7-5-8-10-16/h5,7-10,15,17-18H,3-4,6,11-14H2,1-2H3/t15-,17-/m1/s1
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n/an/a 9.84E+3n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434736
PNG
(CHEMBL2385360)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCO[Si](C)(C)C(C)(C)C)CN1 |r|
Show InChI InChI=1S/C27H42N2OSi/c1-22-21-29(25(20-28-22)18-13-19-30-31(5,6)27(2,3)4)26(23-14-9-7-10-15-23)24-16-11-8-12-17-24/h7-12,14-17,22,25-26,28H,13,18-21H2,1-6H3/t22-,25-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434733
PNG
(CHEMBL2385363)
Show SMILES C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C35H47F3N2O3SSi/c1-27-25-39(33(28-15-9-7-10-16-28)29-17-11-8-12-18-29)31(19-13-14-24-43-45(5,6)34(2,3)4)26-40(27)44(41,42)32-22-20-30(21-23-32)35(36,37)38/h7-12,15-18,20-23,27,31,33H,13-14,19,24-26H2,1-6H3/t27-,31-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434739
PNG
(CHEMBL2385357)
Show SMILES CCCCCCCCC[C@@H]1CN[C@H](C)CN1Cc1ccccc1 |r|
Show InChI InChI=1S/C21H36N2/c1-3-4-5-6-7-8-12-15-21-16-22-19(2)17-23(21)18-20-13-10-9-11-14-20/h9-11,13-14,19,21-22H,3-8,12,15-18H2,1-2H3/t19-,21-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434746
PNG
(CHEMBL2385367)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H26F4N2O2S/c1-19-16-31(17-21-7-11-23(27)12-8-21)24(15-20-5-3-2-4-6-20)18-32(19)35(33,34)25-13-9-22(10-14-25)26(28,29)30/h2-14,19,24H,15-18H2,1H3/t19-,24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434745
PNG
(CHEMBL2385368)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)[C@H](Cc2ccccc2)CN1C(=O)C(c1ccccc1)c1ccccc1 |r|
Show InChI InChI=1S/C33H33FN2O/c1-25-22-35(23-27-17-19-30(34)20-18-27)31(21-26-11-5-2-6-12-26)24-36(25)33(37)32(28-13-7-3-8-14-28)29-15-9-4-10-16-29/h2-20,25,31-32H,21-24H2,1H3/t25-,31-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434744
PNG
(CHEMBL2385369)
Show SMILES C[C@@H]1CN(Cc2ccccc2)[C@H](Cc2ccccc2)CN1 |r|
Show InChI InChI=1S/C19H24N2/c1-16-14-21(15-18-10-6-3-7-11-18)19(13-20-16)12-17-8-4-2-5-9-17/h2-11,16,19-20H,12-15H2,1H3/t16-,19-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50434743
PNG
(CHEMBL2385370)
Show SMILES C[C@@H]1CN(Cc2ccccc2)[C@H](Cc2ccccc2)CN1S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C26H27F3N2O2S/c1-20-17-30(18-22-10-6-3-7-11-22)24(16-21-8-4-2-5-9-21)19-31(20)34(32,33)25-14-12-23(13-15-25)26(27,28)29/h2-15,20,24H,16-19H2,1H3/t20-,24-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of British Columbia

Curated by ChEMBL


Assay Description
Inhibition of rat brain Cav2.2 N-type channel expressed in HEK cells after 20 mins by FLIPR assay


Bioorg Med Chem Lett 23: 3257-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.114
BindingDB Entry DOI: 10.7270/Q21N82H2
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50438747
PNG
(CHEMBL2414787)
Show SMILES CC(C)N[C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[C@@H]2CN(C[C@H]12)S(=O)(=O)c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1S/C24H36F3N3O3S/c1-15(2)28-21(12-23(3,4)5)22(31)29-20-11-6-16-13-30(14-19(16)20)34(32,33)18-9-7-17(8-10-18)24(25,26)27/h7-10,15-16,19-21,28H,6,11-14H2,1-5H3,(H,29,31)/t16-,19+,20+,21+/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com

Curated by ChEMBL


Assay Description
Inhibition of rat N-type Cav2.2 channel expressed in HEK293 cells under depolarized condition by whole cell patch-clamp manual electrophysiology assa...


Bioorg Med Chem Lett 23: 4857-61 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.074
BindingDB Entry DOI: 10.7270/Q2280915
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50444089
PNG
(CHEMBL3092995)
Show SMILES NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1 |r|
Show InChI InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Research& Development, Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells by FDSS assay


J Med Chem 56: 9019-30 (2013)


Article DOI: 10.1021/jm400894u
BindingDB Entry DOI: 10.7270/Q22B90HT
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50444089
PNG
(CHEMBL3092995)
Show SMILES NS(=O)(=O)NC[C@H]1COc2cc(Cl)ccc2O1 |r|
Show InChI InChI=1S/C9H11ClN2O4S/c10-6-1-2-8-9(3-6)15-5-7(16-8)4-12-17(11,13)14/h1-3,7,12H,4-5H2,(H2,11,13,14)/t7-/m0/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Research& Development, Janssen Pharmaceutical Companies of Johnson& Johnson

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2-mediated calcium flux expressed in HEK cells at 0.07 Hz by whole-cell patch-clamp assay


J Med Chem 56: 9019-30 (2013)


Article DOI: 10.1021/jm400894u
BindingDB Entry DOI: 10.7270/Q22B90HT
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))
BDBM50259131
PNG
(CHEMBL466517 | JNJ-26990990 | N-((Benzo[b]thien-3-...)
Show SMILES NS(=O)(=O)NCc1csc2ccccc12
Show InChI InChI=1S/C9H10N2O2S2/c10-15(12,13)11-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H2,10,12,13)
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n/an/a 1.33E+5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibition of rat Cav2.2 channel expressed in 0.07 Hz frequency-stimulated HEK cells by whole-cell patch-clamp technique


J Med Chem 52: 7528-36 (2009)


Article DOI: 10.1021/jm801432r
BindingDB Entry DOI: 10.7270/Q21J9BQD
More data for this
Ligand-Target Pair