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PubMed code 17134896

Compile data set for download or QSAR
Found 41 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 N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199822
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-sec-butylthiaz...)
Show SMILES CCC(C)N1C(SCC1=O)c1cnccc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2OS/c1-3-12(2)21-17(22)11-23-18(21)16-10-20-9-8-15(16)13-4-6-14(19)7-5-13/h4-10,12,18H,3,11H2,1-2H3
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n/an/a 210n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199819
PNG
(3-isobutyl-2-(4-p-tolylpyridin-3-yl)thiazolidin-4-...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3
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n/an/a 490n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199841
PNG
(2-(3-(4-bromophenyl)pyridin-4-yl)-3-isobutylthiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2OS/c1-12(2)10-21-17(22)11-23-18(21)15-7-8-20-9-16(15)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199832
PNG
(3-isobutyl-2-(4-(4-vinylphenyl)pyridin-3-yl)thiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(C=C)cc1
Show InChI InChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
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Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199825
PNG
(3-isobutyl-2-(3-(4-vinylphenyl)pyridin-4-yl)thiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(C=C)cc1
Show InChI InChI=1S/C20H22N2OS/c1-4-15-5-7-16(8-6-15)18-11-21-10-9-17(18)20-22(12-14(2)3)19(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
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n/an/a 530n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199846
PNG
(3-cyclopentyl-2-(2-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1ncccc1C1SCC(=O)N1C1CCCC1
Show InChI InChI=1S/C20H19F3N2OS/c21-20(22,23)14-9-7-13(8-10-14)18-16(6-3-11-24-18)19-25(17(26)12-27-19)15-4-1-2-5-15/h3,6-11,15,19H,1-2,4-5,12H2
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n/an/a 560n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199831
PNG
(2-(3-(4-chlorophenyl)pyridin-4-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2OS/c1-12(2)10-21-17(22)11-23-18(21)15-7-8-20-9-16(15)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 580n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199837
PNG
(3-isobutyl-2-(3-p-tolylpyridin-4-yl)thiazolidin-4-...)
Show SMILES CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)16-8-9-20-10-17(16)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3
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n/an/a 590n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199827
PNG
(2-(4-(4-chlorophenyl)pyridin-3-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199818
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-cyclopentylthi...)
Show SMILES Brc1ccc(cc1)-c1ccncc1C1SCC(=O)N1C1CCCC1
Show InChI InChI=1S/C19H19BrN2OS/c20-14-7-5-13(6-8-14)16-9-10-21-11-17(16)19-22(18(23)12-24-19)15-3-1-2-4-15/h5-11,15,19H,1-4,12H2
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n/an/a 630n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199812
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-isobutylthiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 660n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199840
PNG
(2-(2-(4-bromophenyl)pyridin-3-yl)-3-isobutylthiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1cccnc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 700n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199826
PNG
((R)-3-isobutyl-2-(4-p-tolylpyridin-3-yl)thiazolidi...)
Show SMILES CC(C)CN1[C@H](SCC1=O)c1cnccc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3/t19-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199826
PNG
((R)-3-isobutyl-2-(4-p-tolylpyridin-3-yl)thiazolidi...)
Show SMILES CC(C)CN1[C@H](SCC1=O)c1cnccc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2OS/c1-13(2)11-21-18(22)12-23-19(21)17-10-20-9-8-16(17)15-6-4-14(3)5-7-15/h4-10,13,19H,11-12H2,1-3H3/t19-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199820
PNG
((R)-3-isobutyl-2-(4-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES CC(C)CN1[C@H](SCC1=O)c1cnccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2OS/c1-12(2)10-24-17(25)11-26-18(24)16-9-23-8-7-15(16)13-3-5-14(6-4-13)19(20,21)22/h3-9,12,18H,10-11H2,1-2H3/t18-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199820
PNG
((R)-3-isobutyl-2-(4-(4-(trifluoromethyl)phenyl)pyr...)
Show SMILES CC(C)CN1[C@H](SCC1=O)c1cnccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2OS/c1-12(2)10-24-17(25)11-26-18(24)16-9-23-8-7-15(16)13-3-5-14(6-4-13)19(20,21)22/h3-9,12,18H,10-11H2,1-2H3/t18-/m1/s1
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n/an/a 770n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199839
PNG
(2-(4-(4-ethylphenyl)pyridin-3-yl)-3-isobutylthiazo...)
Show SMILES CCc1ccc(cc1)-c1ccncc1C1SCC(=O)N1CC(C)C
Show InChI InChI=1S/C20H24N2OS/c1-4-15-5-7-16(8-6-15)17-9-10-21-11-18(17)20-22(12-14(2)3)19(23)13-24-20/h5-11,14,20H,4,12-13H2,1-3H3
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n/an/a 880n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199817
PNG
(3-isobutyl-2-(4-(4-(trifluoromethyl)phenyl)pyridin...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2OS/c1-12(2)10-24-17(25)11-26-18(24)16-9-23-8-7-15(16)13-3-5-14(6-4-13)19(20,21)22/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 1.07E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199811
PNG
(2-(2-(4-chlorophenyl)pyridin-3-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1cccnc1-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 1.26E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199830
PNG
(CHEMBL234510 | N-isobutyl-4-oxo-3-(2-(pyridin-2-yl...)
Show SMILES CC(C)CNC(=O)C1SC(N(CCc2ccccn2)C1=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N3O2S/c1-14(2)13-27-19(29)18-20(30)28(11-9-17-8-3-4-10-26-17)21(31-18)15-6-5-7-16(12-15)22(23,24)25/h3-8,10,12,14,18,21H,9,11,13H2,1-2H3,(H,27,29)
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n/an/a 1.29E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199836
PNG
(2-(4-(4-fluorophenyl)pyridin-3-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2OS/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199845
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-cyclopropylthi...)
Show SMILES Brc1ccc(cc1)-c1ccncc1C1SCC(=O)N1C1CC1
Show InChI InChI=1S/C17H15BrN2OS/c18-12-3-1-11(2-4-12)14-7-8-19-9-15(14)17-20(13-5-6-13)16(21)10-22-17/h1-4,7-9,13,17H,5-6,10H2
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199847
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-cyclohexylthia...)
Show SMILES Brc1ccc(cc1)-c1ccncc1C1SCC(=O)N1C1CCCCC1
Show InChI InChI=1S/C20H21BrN2OS/c21-15-8-6-14(7-9-15)17-10-11-22-12-18(17)20-23(19(24)13-25-20)16-4-2-1-3-5-16/h6-12,16,20H,1-5,13H2
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n/an/a 1.32E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199833
PNG
(3-isobutyl-2-(2-(4-vinylphenyl)pyridin-3-yl)thiazo...)
Show SMILES CC(C)CN1C(SCC1=O)c1cccnc1-c1ccc(C=C)cc1
Show InChI InChI=1S/C20H22N2OS/c1-4-15-7-9-16(10-8-15)19-17(6-5-11-21-19)20-22(12-14(2)3)18(23)13-24-20/h4-11,14,20H,1,12-13H2,2-3H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199844
PNG
(2-(3-bromo-4-fluorophenyl)-N-isobutyl-4-oxo-3-(2-(...)
Show SMILES CC(C)CNC(=O)C1SC(N(CCc2ccccn2)C1=O)c1ccc(F)c(Br)c1
Show InChI InChI=1S/C21H23BrFN3O2S/c1-13(2)12-25-19(27)18-20(28)26(10-8-15-5-3-4-9-24-15)21(29-18)14-6-7-17(23)16(22)11-14/h3-7,9,11,13,18,21H,8,10,12H2,1-2H3,(H,25,27)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199843
PNG
(3-cyclopentyl-2-(3-(4-(trifluoromethyl)phenyl)pyri...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1cnccc1C1SCC(=O)N1C1CCCC1
Show InChI InChI=1S/C20H19F3N2OS/c21-20(22,23)14-7-5-13(6-8-14)17-11-24-10-9-16(17)19-25(18(26)12-27-19)15-3-1-2-4-15/h5-11,15,19H,1-4,12H2
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n/an/a 1.37E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199842
PNG
(3-isobutyl-2-(3-(4-methoxyphenyl)pyridin-4-yl)thia...)
Show SMILES COc1ccc(cc1)-c1cnccc1C1SCC(=O)N1CC(C)C
Show InChI InChI=1S/C19H22N2O2S/c1-13(2)11-21-18(22)12-24-19(21)16-8-9-20-10-17(16)14-4-6-15(23-3)7-5-14/h4-10,13,19H,11-12H2,1-3H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(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/a 1.67E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199838
PNG
(2-(3-bromo-4-fluorophenyl)-3-(2-(pyridin-2-yl)ethy...)
Show SMILES Fc1ccc(cc1Br)C1SCC(=O)N1CCc1ccccn1
Show InChI InChI=1S/C16H14BrFN2OS/c17-13-9-11(4-5-14(13)18)16-20(15(21)10-22-16)8-6-12-3-1-2-7-19-12/h1-5,7,9,16H,6,8,10H2
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n/an/a 1.68E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199834
PNG
(3-isobutyl-2-(2-p-tolylpyridin-3-yl)thiazolidin-4-...)
Show SMILES CC(C)CN1C(SCC1=O)c1cccnc1-c1ccc(C)cc1
Show InChI InChI=1S/C19H22N2OS/c1-13(2)11-21-17(22)12-23-19(21)16-5-4-10-20-18(16)15-8-6-14(3)7-9-15/h4-10,13,19H,11-12H2,1-3H3
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n/an/a 1.96E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199835
PNG
(3-(2-(pyridin-2-yl)ethyl)-2-(3-(trifluoromethyl)ph...)
Show SMILES FC(F)(F)c1cccc(c1)C1SCC(=O)N1CCc1ccccn1
Show InChI InChI=1S/C17H15F3N2OS/c18-17(19,20)13-5-3-4-12(10-13)16-22(15(23)11-24-16)9-7-14-6-1-2-8-21-14/h1-6,8,10,16H,7,9,11H2
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n/an/a 2.41E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50095765
PNG
(1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)m...)
Show SMILES COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC
Show InChI InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
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n/an/a 2.43E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199816
PNG
(2-[4-(4-bromo-phenyl)-pyridin-3-yl]-3-isobutyl-1-o...)
Show SMILES CC(C)CN1C(c2cnccc2-c2ccc(Br)cc2)S(=O)CC1=O |w:5.5|
Show InChI InChI=1S/C18H19BrN2O2S/c1-12(2)10-21-17(22)11-24(23)18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 3.97E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199829
PNG
(3-isobutyl-2-(4-phenylpyridin-3-yl)thiazolidin-4-o...)
Show SMILES CC(C)CN1C(SCC1=O)c1cnccc1-c1ccccc1
Show InChI InChI=1S/C18H20N2OS/c1-13(2)11-20-17(21)12-22-18(20)16-10-19-9-8-15(16)14-6-4-3-5-7-14/h3-10,13,18H,11-12H2,1-2H3
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n/an/a 3.98E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199813
PNG
(2-(3-(4-fluorophenyl)pyridin-4-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1ccncc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2OS/c1-12(2)10-21-17(22)11-23-18(21)15-7-8-20-9-16(15)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 4.15E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199821
PNG
(2-(4-(4-bromophenyl)pyridin-3-yl)-3-isobutyloxazol...)
Show SMILES CC(C)CN1C(OCC1=O)c1cnccc1-c1ccc(Br)cc1
Show InChI InChI=1S/C18H19BrN2O2/c1-12(2)10-21-17(22)11-23-18(21)16-9-20-8-7-15(16)13-3-5-14(19)6-4-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 4.42E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199815
PNG
(2-(2-(4-fluorophenyl)pyridin-3-yl)-3-isobutylthiaz...)
Show SMILES CC(C)CN1C(SCC1=O)c1cccnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN2OS/c1-12(2)10-21-16(22)11-23-18(21)15-4-3-9-20-17(15)13-5-7-14(19)8-6-13/h3-9,12,18H,10-11H2,1-2H3
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n/an/a 4.92E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199814
PNG
(2-(3-bromo-4-fluoro-phenyl)-1,1-dioxo-3-(2-pyridin...)
Show SMILES Fc1ccc(cc1Br)C1N(CCc2ccccn2)C(=O)CS1(=O)=O |w:8.8|
Show InChI InChI=1S/C16H14BrFN2O3S/c17-13-9-11(4-5-14(13)18)16-20(15(21)10-24(16,22)23)8-6-12-3-1-2-7-19-12/h1-5,7,9,16H,6,8,10H2
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n/an/a 8.13E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199824
PNG
(3-isobutyl-2-(2-(4-methoxyphenyl)pyridin-3-yl)thia...)
Show SMILES COc1ccc(cc1)-c1ncccc1C1SCC(=O)N1CC(C)C
Show InChI InChI=1S/C19H22N2O2S/c1-13(2)11-21-17(22)12-24-19(21)16-5-4-10-20-18(16)14-6-8-15(23-3)9-7-14/h4-10,13,19H,11-12H2,1-3H3
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n/an/a 8.93E+3n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199823
PNG
(3-cyclopentyl-2-(3-(4-(dimethylamino)phenyl)pyridi...)
Show SMILES CN(C)c1ccc(cc1)-c1cnccc1C1SCC(=O)N1C1CCCC1
Show InChI InChI=1S/C21H25N3OS/c1-23(2)16-9-7-15(8-10-16)19-13-22-12-11-18(19)21-24(20(25)14-26-21)17-5-3-4-6-17/h7-13,17,21H,3-6,14H2,1-2H3
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n/an/a 1.07E+4n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))
BDBM50199828
PNG
(2-(3-bromo-4-fluoro-phenyl)-1-oxo-3-(2-pyridin-2-y...)
Show SMILES Fc1ccc(cc1Br)C1N(CCc2ccccn2)C(=O)CS1=O |w:8.8|
Show InChI InChI=1S/C16H14BrFN2O2S/c17-13-9-11(4-5-14(13)18)16-20(15(21)10-23(16)22)8-6-12-3-1-2-7-19-12/h1-5,7,9,16H,6,8,10H2
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PubMed
n/an/a 2.98E+4n/an/an/an/an/an/a



Ionix Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of calcium channel Cav2.2 in IMR32 cells


Bioorg Med Chem Lett 17: 662-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.098
BindingDB Entry DOI: 10.7270/Q26W99Q0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%