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PubMed code 20659804

Compile data set for download or QSAR
Found 19 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 T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324078
PNG
(1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-y...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CCCNCC1CCCCC1)c1ccccc1
Show InChI InChI=1S/C28H38ClN3O/c29-26-15-13-25(14-16-26)28(24-10-5-2-6-11-24)32-20-18-31(19-21-32)27(33)12-7-17-30-22-23-8-3-1-4-9-23/h2,5-6,10-11,13-16,23,28,30H,1,3-4,7-9,12,17-22H2
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n/an/a 190n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324082
PNG
(4-(4-Isopropylbenzylamino)-1-(4-((4-chlorophenyl)(...)
Show SMILES CC(C)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C31H38ClN3O/c1-24(2)26-12-10-25(11-13-26)23-33-18-6-9-30(36)34-19-21-35(22-20-34)31(27-7-4-3-5-8-27)28-14-16-29(32)17-15-28/h3-5,7-8,10-17,24,31,33H,6,9,18-23H2,1-2H3
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n/an/a 280n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324076
PNG
(1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-y...)
Show SMILES CC(C)CNCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H34ClN3O/c1-20(2)19-27-14-6-9-24(30)28-15-17-29(18-16-28)25(21-7-4-3-5-8-21)22-10-12-23(26)13-11-22/h3-5,7-8,10-13,20,25,27H,6,9,14-19H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324075
PNG
(1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-y...)
Show SMILES CCNCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H30ClN3O/c1-2-25-14-6-9-22(28)26-15-17-27(18-16-26)23(19-7-4-3-5-8-19)20-10-12-21(24)13-11-20/h3-5,7-8,10-13,23,25H,2,6,9,14-18H2,1H3
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n/an/a 420n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324080
PNG
(4-(4-Nitrobenzylamino)-1-(4-((4-chlorophenyl)(phen...)
Show SMILES [O-][N+](=O)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H31ClN4O3/c29-25-12-10-24(11-13-25)28(23-5-2-1-3-6-23)32-19-17-31(18-20-32)27(34)7-4-16-30-21-22-8-14-26(15-9-22)33(35)36/h1-3,5-6,8-15,28,30H,4,7,16-21H2
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n/an/a 600n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.1 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.3 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.2 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324084
PNG
(4-(2,6-Dichlorobenzylamino)-1-(4-((4-chlorophenyl)...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CCCNCc1c(Cl)cccc1Cl)c1ccccc1
Show InChI InChI=1S/C28H30Cl3N3O/c29-23-13-11-22(12-14-23)28(21-6-2-1-3-7-21)34-18-16-33(17-19-34)27(35)10-5-15-32-20-24-25(30)8-4-9-26(24)31/h1-4,6-9,11-14,28,32H,5,10,15-20H2
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n/an/a 1.02E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50117922
PNG
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)
Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r|
Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
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n/an/a 1.34E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324077
PNG
(4-(2-Ethylbutylamino)-1-(4-((4-chlorophenyl)(pheny...)
Show SMILES CCC(CC)CNCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H38ClN3O/c1-3-22(4-2)21-29-16-8-11-26(32)30-17-19-31(20-18-30)27(23-9-6-5-7-10-23)24-12-14-25(28)15-13-24/h5-7,9-10,12-15,22,27,29H,3-4,8,11,16-21H2,1-2H3
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n/an/a 1.54E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324079
PNG
(4-(Benzylamino)-1-(4-((4-chlorophenyl)(phenyl)meth...)
Show SMILES Clc1ccc(cc1)C(N1CCN(CC1)C(=O)CCCNCc1ccccc1)c1ccccc1
Show InChI InChI=1S/C28H32ClN3O/c29-26-15-13-25(14-16-26)28(24-10-5-2-6-11-24)32-20-18-31(19-21-32)27(33)12-7-17-30-22-23-8-3-1-4-9-23/h1-6,8-11,13-16,28,30H,7,12,17-22H2
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n/an/a 1.67E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324083
PNG
(4-(4-(Dimethylamino)benzylamino)-1-(4-((4-chloroph...)
Show SMILES CN(C)c1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C30H37ClN4O/c1-33(2)28-16-10-24(11-17-28)23-32-18-6-9-29(36)34-19-21-35(22-20-34)30(25-7-4-3-5-8-25)26-12-14-27(31)15-13-26/h3-5,7-8,10-17,30,32H,6,9,18-23H2,1-2H3
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n/an/a 2.32E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324074
PNG
(4-amino-1-(4-((4-chlorophenyl)(phenyl)methyl)piper...)
Show SMILES NCCCC(=O)N1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H26ClN3O/c22-19-10-8-18(9-11-19)21(17-5-2-1-3-6-17)25-15-13-24(14-16-25)20(26)7-4-12-23/h1-3,5-6,8-11,21H,4,7,12-16,23H2
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n/an/a 3.71E+3n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50324081
PNG
(4-(4-Methoxybenzylamino)-1-(4-((4-chlorophenyl)(ph...)
Show SMILES COc1ccc(CNCCCC(=O)N2CCN(CC2)C(c2ccccc2)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H34ClN3O2/c1-35-27-15-9-23(10-16-27)22-31-17-5-8-28(34)32-18-20-33(21-19-32)29(24-6-3-2-4-7-24)25-11-13-26(30)14-12-25/h2-4,6-7,9-16,29,31H,5,8,17-22H2,1H3
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n/an/a 1.61E+4n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type alpha1G channel expressed in HEK293 cells by whole-cell patch-clamp method


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1I


(Homo sapiens (Human))
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/an/a 840n/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.3 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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n/an/an/a 530n/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.1 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50019293
PNG
(1-(1-{3-[Bis-(4-fluoro-phenyl)-amino]-propyl}-pipe...)
Show SMILES Fc1ccc(cc1)N(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2N4O/c28-20-6-10-22(11-7-20)32(23-12-8-21(29)9-13-23)17-3-16-31-18-14-24(15-19-31)33-26-5-2-1-4-25(26)30-27(33)34/h1-2,4-13,24H,3,14-19H2,(H,30,34)
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n/an/an/a 29n/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of dopamine D2 receptor


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50017702
PNG
(1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine...)
Show SMILES Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+
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Article
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n/an/an/a 3.60E+3n/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of T-type Cav3.2 channel


Bioorg Med Chem 18: 5938-44 (2010)


Article DOI: 10.1016/j.bmc.2010.06.082
BindingDB Entry DOI: 10.7270/Q2ZS2WQ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%