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PubMed code 24949913

Compile data set for download or QSAR
Found 13 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 L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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PubMed
n/an/a 79n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 398n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 481n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in Wistar rat aorta rings assessed as reduction in L-type Ba(2+) current at Vh of -50 mV


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3
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n/an/a 1.59E+3n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-intact Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046397
PNG
(CHEMBL3314412)
Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046397
PNG
(CHEMBL3314412)
Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046397
PNG
(CHEMBL3314412)
Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3
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n/an/a 3.16E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046397
PNG
(CHEMBL3314412)
Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3
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n/an/a 3.98E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-intact Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046399
PNG
(CHEMBL3314413)
Show SMILES CSC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2OS/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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n/an/a 5.01E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of phenylephrine-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046399
PNG
(CHEMBL3314413)
Show SMILES CSC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2OS/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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n/an/a 6.31E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-intact Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046399
PNG
(CHEMBL3314413)
Show SMILES CSC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2OS/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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n/an/a 7.94E+4n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 60 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046399
PNG
(CHEMBL3314413)
Show SMILES CSC(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C12H14N2OS/c1-16-12(15)13-7-6-9-8-14-11-5-3-2-4-10(9)11/h2-5,8,14H,6-7H2,1H3,(H,13,15)
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n/an/a 1.26E+5n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in endothelium-denuded Wistar rat aorta rings assessed as relaxation of 30 mM K+-induced contraction


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S


(Rattus norvegicus-RAT)
BDBM50046397
PNG
(CHEMBL3314412)
Show SMILES CSC(=O)N(C)CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C13H16N2OS/c1-15(13(16)17-2)8-7-10-9-14-12-6-4-3-5-11(10)12/h3-6,9,14H,7-8H2,1-2H3
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n/an/a 2.51E+5n/an/an/an/an/an/a



Vietnam Academy of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel in Wistar rat aorta rings assessed as reduction in L-type Ba(2+) current at Vh of -50 mV


J Nat Prod 77: 1586-93 (2014)


Article DOI: 10.1021/np500076v
BindingDB Entry DOI: 10.7270/Q26H4K1N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%