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PubMed code 19683451

Compile data set for download or QSAR
Found 12 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


(Rattus norvegicus (Rat))		BDBM50304183
PNG
(2-(5-Guanidinopentanamido)-5-(3-guanidinopropoxy)-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C29H36N8O4/c30-28(31)34-16-5-4-9-26(38)37-25-15-14-23(40-18-6-17-35-29(32)33)19-24(25)27(39)36-20-10-12-22(13-11-20)41-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18H2,(H,36,39)(H,37,38)(H4,30,31,34)(H4,32,33,35)
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n/an/an/an/a 1.16E+5n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304185
PNG
(2-(5-Guanidino-octanamido)-5-(3-guanidinopropoxy)-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C32H42N8O4/c33-31(34)37-19-8-3-1-2-7-12-29(41)40-28-18-17-26(43-21-9-20-38-32(35)36)22-27(28)30(42)39-23-13-15-25(16-14-23)44-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21H2,(H,39,42)(H,40,41)(H4,33,34,37)(H4,35,36,38)
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n/an/an/an/a 1.30E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304187
PNG
(2-(5-Guanidino-octanamido)-5-(3-guanidinobutoxy)-N...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C33H44N8O4/c34-32(35)38-20-8-3-1-2-7-13-30(42)41-29-19-18-27(44-22-10-9-21-39-33(36)37)23-28(29)31(43)40-24-14-16-26(17-15-24)45-25-11-5-4-6-12-25/h4-6,11-12,14-19,23H,1-3,7-10,13,20-22H2,(H,40,43)(H,41,42)(H4,34,35,38)(H4,36,37,39)
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n/an/an/an/a 1.50E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304180
PNG
(2-(8-Aminooctanamido)-5-(3-aminopropoxy)-N-(4-phen...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C30H38N4O4/c31-19-8-3-1-2-7-12-29(35)34-28-18-17-26(37-21-9-20-32)22-27(28)30(36)33-23-13-15-25(16-14-23)38-24-10-5-4-6-11-24/h4-6,10-11,13-18,22H,1-3,7-9,12,19-21,31-32H2,(H,33,36)(H,34,35)
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n/an/an/an/a 7.20E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304189
PNG
(CHEMBL593380 | N-(4-(4-Fluorophenoxy)phenyl)-2-(8-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C32H41FN8O4/c33-22-8-12-24(13-9-22)45-25-14-10-23(11-15-25)40-30(43)27-21-26(44-20-6-19-39-32(36)37)16-17-28(27)41-29(42)7-4-2-1-3-5-18-38-31(34)35/h8-17,21H,1-7,18-20H2,(H,40,43)(H,41,42)(H4,34,35,38)(H4,36,37,39)
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n/an/an/an/a 6.00E+3n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304190
PNG
(2-(5-Aminopentanamido)-5-(3-aminopropoxy)-N-(4-phe...)
Show SMILES NCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C27H32N4O4/c28-16-5-4-9-26(32)31-25-15-14-23(34-18-6-17-29)19-24(25)27(33)30-20-10-12-22(13-11-20)35-21-7-2-1-3-8-21/h1-3,7-8,10-15,19H,4-6,9,16-18,28-29H2,(H,30,33)(H,31,32)
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n/an/an/an/a 7.70E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304186
PNG
(2-(5-Guanidinohexanamido)-5-(3-guanidinobutoxy)-N-...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C31H40N8O4/c32-30(33)36-18-6-2-5-11-28(40)39-27-17-16-25(42-20-8-7-19-37-31(34)35)21-26(27)29(41)38-22-12-14-24(15-13-22)43-23-9-3-1-4-10-23/h1,3-4,9-10,12-17,21H,2,5-8,11,18-20H2,(H,38,41)(H,39,40)(H4,32,33,36)(H4,34,35,37)
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n/an/an/an/a 1.70E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304188
PNG
(2-(8-Guanidinooctanamido)-5-(3-guanidinopropoxy)-N...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccc(-[#8])cc2)cc1
Show InChI InChI=1S/C32H42N8O5/c33-31(34)37-18-5-3-1-2-4-7-29(42)40-28-17-16-26(44-20-6-19-38-32(35)36)21-27(28)30(43)39-22-8-12-24(13-9-22)45-25-14-10-23(41)11-15-25/h8-17,21,41H,1-7,18-20H2,(H,39,43)(H,40,42)(H4,33,34,37)(H4,35,36,38)
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n/an/an/an/a 1.60E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304191
PNG
(2-(6-Aminohexanamido)-5-(3-aminopropoxy)-N-(4-phen...)
Show SMILES NCCCCCC(=O)Nc1ccc(OCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C28H34N4O4/c29-17-6-2-5-10-27(33)32-26-16-15-24(35-19-7-18-30)20-25(26)28(34)31-21-11-13-23(14-12-21)36-22-8-3-1-4-9-22/h1,3-4,8-9,11-16,20H,2,5-7,10,17-19,29-30H2,(H,31,34)(H,32,33)
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n/an/an/an/a 1.07E+5n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304184
PNG
(2-(5-Guanidinohexanamido)-5-(3-guanidinopropoxy)-N...)
Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-c1ccc(-[#8]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1-[#6](=O)-[#7]-c1ccc(-[#8]-c2ccccc2)cc1
Show InChI InChI=1S/C30H38N8O4/c31-29(32)35-17-6-2-5-10-27(39)38-26-16-15-24(41-19-7-18-36-30(33)34)20-25(26)28(40)37-21-11-13-23(14-12-21)42-22-8-3-1-4-9-22/h1,3-4,8-9,11-16,20H,2,5-7,10,17-19H2,(H,37,40)(H,38,39)(H4,31,32,35)(H4,33,34,36)
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n/an/an/an/a 1.60E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304182
PNG
(5-(4-Aminobutoxy)-2-(8-aminooctanamido)-N-(4-pheno...)
Show SMILES NCCCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H40N4O4/c32-20-8-3-1-2-7-13-30(36)35-29-19-18-27(38-22-10-9-21-33)23-28(29)31(37)34-24-14-16-26(17-15-24)39-25-11-5-4-6-12-25/h4-6,11-12,14-19,23H,1-3,7-10,13,20-22,32-33H2,(H,34,37)(H,35,36)
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n/an/an/an/a 9.00E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
Voltage-dependent N-type calcium channel subunit alpha-1B


(Rattus norvegicus (Rat))		BDBM50304181
PNG
(5-(4-Aminobutoxy)-2-(6-aminohexanamido)-N-(4-pheno...)
Show SMILES NCCCCCC(=O)Nc1ccc(OCCCCN)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H36N4O4/c30-18-6-2-5-11-28(34)33-27-17-16-25(36-20-8-7-19-31)21-26(27)29(35)32-22-12-14-24(15-13-22)37-23-9-3-1-4-10-23/h1,3-4,9-10,12-17,21H,2,5-8,11,18-20,30-31H2,(H,32,35)(H,33,34)
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n/an/an/an/a 9.90E+4n/an/an/an/a



The University of Queensland

Curated by ChEMBL


Assay Description
Displacement of [125I]GVIA from Cav2.2 channel in rat brain by scintillation counting

Bioorg Med Chem 17: 6659-70 (2009)


Article DOI: 10.1016/j.bmc.2009.07.063
BindingDB Entry DOI: 10.7270/Q2K937M3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%