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PubMed code 22560585

Compile data set for download or QSAR
Found 16 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))		BDBM50383776
PNG
(CHEMBL2030594)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1ccc(Cl)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H23Cl2NO6/c1-32-25(33-2)22-21(24(31)34-12-6-9-15-7-4-3-5-8-15)20(17(14-28-22)23(29)30)16-10-11-18(26)19(27)13-16/h3-11,13-14,17,20,25H,12H2,1-2H3,(H,29,30)/b9-6+
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n/an/a 520n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 580n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 580n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383769
PNG
(CHEMBL2030600)
Show SMILES OC(=O)C1C=NC=C(C1c1ccc(Cl)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:4,6|
Show InChI InChI=1S/C22H17Cl2NO4/c23-18-9-8-15(11-19(18)24)20-16(21(26)27)12-25-13-17(20)22(28)29-10-4-7-14-5-2-1-3-6-14/h1-9,11-13,16,20H,10H2,(H,26,27)/b7-4+
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n/an/a 750n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383765
PNG
(CHEMBL2030603)
Show SMILES COc1c(Cl)cc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:13,15|
Show InChI InChI=1S/C23H19Cl2NO5/c1-30-21-18(24)10-15(11-19(21)25)20-16(22(27)28)12-26-13-17(20)23(29)31-9-5-8-14-6-3-2-4-7-14/h2-8,10-13,16,20H,9H2,1H3,(H,27,28)/b8-5+
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n/an/a 840n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383775
PNG
(CHEMBL2030593)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cc(Cl)cc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H23Cl2NO6/c1-32-25(33-2)22-21(24(31)34-10-6-9-15-7-4-3-5-8-15)20(19(14-28-22)23(29)30)16-11-17(26)13-18(27)12-16/h3-9,11-14,19-20,25H,10H2,1-2H3,(H,29,30)/b9-6+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383766
PNG
(CHEMBL2030597)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cccc(c1)C(F)(F)F)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C26H24F3NO6/c1-34-25(35-2)22-21(24(33)36-13-7-10-16-8-4-3-5-9-16)20(19(15-30-22)23(31)32)17-11-6-12-18(14-17)26(27,28)29/h3-12,14-15,19-20,25H,13H2,1-2H3,(H,31,32)/b10-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383773
PNG
(CHEMBL2030591)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cccc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H24ClNO6/c1-31-25(32-2)22-21(24(30)33-13-7-10-16-8-4-3-5-9-16)20(19(15-27-22)23(28)29)17-11-6-12-18(26)14-17/h3-12,14-15,19-20,25H,13H2,1-2H3,(H,28,29)/b10-7+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383774
PNG
(CHEMBL2030592)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1ccc(Cl)cc1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C25H24ClNO6/c1-31-25(32-2)22-21(24(30)33-14-6-9-16-7-4-3-5-8-16)20(19(15-27-22)23(28)29)17-10-12-18(26)13-11-17/h3-13,15,19-20,25H,14H2,1-2H3,(H,28,29)/b9-6+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383768
PNG
(CHEMBL2030599)
Show SMILES OC(=O)C1C=NC=C(C1c1ccc(Cl)cc1)C(=O)OC\C=C\c1ccccc1 |c:4,6|
Show InChI InChI=1S/C22H18ClNO4/c23-17-10-8-16(9-11-17)20-18(21(25)26)13-24-14-19(20)22(27)28-12-4-7-15-5-2-1-3-6-15/h1-11,13-14,18,20H,12H2,(H,25,26)/b7-4+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383770
PNG
(CHEMBL2030601)
Show SMILES OC(=O)C1C=NC=C(C1c1cccc(c1)C(F)(F)F)C(=O)OC\C=C\c1ccccc1 |c:4,6|
Show InChI InChI=1S/C23H18F3NO4/c24-23(25,26)17-10-4-9-16(12-17)20-18(21(28)29)13-27-14-19(20)22(30)31-11-5-8-15-6-2-1-3-7-15/h1-10,12-14,18,20H,11H2,(H,28,29)/b8-5+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383778
PNG
(CHEMBL2030596)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1cc(Cl)c(OC)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C26H25Cl2NO7/c1-33-23-18(27)12-16(13-19(23)28)20-17(24(30)31)14-29-22(26(34-2)35-3)21(20)25(32)36-11-7-10-15-8-5-4-6-9-15/h4-10,12-14,17,20,26H,11H2,1-3H3,(H,30,31)/b10-7+
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n/an/a 1.20E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383771
PNG
(CHEMBL2030602)
Show SMILES COc1ccc(cc1Cl)C1C(C=NC=C1C(=O)OC\C=C\c1ccccc1)C(O)=O |c:12,14|
Show InChI InChI=1S/C23H20ClNO5/c1-29-20-10-9-16(12-19(20)24)21-17(22(26)27)13-25-14-18(21)23(28)30-11-5-8-15-6-3-2-4-7-15/h2-10,12-14,17,21H,11H2,1H3,(H,26,27)/b8-5+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383777
PNG
(CHEMBL2030595)
Show SMILES COC(OC)C1=C(C(C(C=N1)C(O)=O)c1ccc(OC)c(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:9,t:5|
Show InChI InChI=1S/C26H26ClNO7/c1-32-20-12-11-17(14-19(20)27)21-18(24(29)30)15-28-23(26(33-2)34-3)22(21)25(31)35-13-7-10-16-8-5-4-6-9-16/h4-12,14-15,18,21,26H,13H2,1-3H3,(H,29,30)/b10-7+
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n/an/a 1.50E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383767
PNG
(CHEMBL2030598)
Show SMILES OC(=O)C1C=NC=C(C1c1cccc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:4,6|
Show InChI InChI=1S/C22H18ClNO4/c23-17-10-4-9-16(12-17)20-18(21(25)26)13-24-14-19(20)22(27)28-11-5-8-15-6-2-1-3-7-15/h1-10,12-14,18,20H,11H2,(H,25,26)/b8-5+
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n/an/a 1.60E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Homo sapiens (Human))		BDBM50383772
PNG
(CHEMBL451812)
Show SMILES COC(OC)C1=C(C(C(C(O)=O)C(C)=N1)c1cccc(Cl)c1)C(=O)OC\C=C\c1ccccc1 |c:13,t:5|
Show InChI InChI=1S/C26H26ClNO6/c1-16-20(24(29)30)21(18-12-7-13-19(27)15-18)22(23(28-16)26(32-2)33-3)25(31)34-14-8-11-17-9-5-4-6-10-17/h4-13,15,20-21,26H,14H2,1-3H3,(H,29,30)/b11-8+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Pharmaceuticals Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of N-type voltage-dependent calcium channel CaV2.2 in human IMR32 cells assessed as inhibition of KCl-induced increase in intracellular ca...

Bioorg Med Chem Lett 22: 3639-42 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.051
BindingDB Entry DOI: 10.7270/Q2QV3NJX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%