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PubMed code 1390689

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
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92971
PNG
(Amphiphile, VI)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)OC(C[NH+](C)C)C[N+](C)(C)C
Show InChI InChI=1S/C36H65N2O2/c1-25(2)12-11-13-26(3)31-16-17-32-30-15-14-28-22-27(18-20-35(28,4)33(30)19-21-36(31,32)5)34(39)40-29(23-37(6)7)24-38(8,9)10/h14,25-27,29-33H,11-13,15-24H2,1-10H3/q+1/p+1
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n/an/a 1.10E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92969
PNG
(Amphiphile, IV)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[N+](C)(C)C
Show InChI InChI=1S/C32H60N2O/c1-23(2)10-9-11-24(3)27-16-21-36-29-13-12-26-22-25(30(35)33-19-20-34(6,7)8)14-17-31(26,4)28(29)15-18-32(27,36)5/h12,23-25,27-29,34H,9-11,13-22H2,1-8H3,(H,33,35)/q+1
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PubMed
n/an/a 1.20E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92976
PNG
(Amphiphile, XI)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C
Show InChI InChI=1S/C36H65N4O5/c1-25(2)11-10-12-31(37)29-17-20-39-34-30(16-19-36(29,39)4)35(3)18-15-27(21-26(35)24-43-34)44-32(41)13-14-33(42)45-28(22-38(5)6)23-40(7,8)9/h24-25,27-31,34H,10-23,37H2,1-9H3/q+1/p+1
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n/an/a 1.50E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92978
PNG
(Amphiphile, XIII)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OCC[NH+](C)CC[N+](C)(C)C
Show InChI InChI=1S/C36H65N4O5/c1-26(2)10-9-11-31(37)29-16-19-39-34-30(15-18-36(29,39)4)35(3)17-14-28(24-27(35)25-44-34)45-33(42)13-12-32(41)43-23-21-38(5)20-22-40(6,7)8/h25-26,28-31,34H,9-24,37H2,1-8H3/q+1/p+1
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n/an/a 2.00E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92979
PNG
(Amphiphile, XVI)
Show SMILES CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C
Show InChI InChI=1S/C30H63N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(33)34-29(27-31(2)3)28-32(4,5)6/h29H,7-28H2,1-6H3/q+1/p+1
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PubMed
n/an/a 2.60E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92980
PNG
(Amphiphile, XVII)
Show SMILES CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(C[NH+](C)C)C[N+](C)(C)C
Show InChI InChI=1S/C32H67N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32(35)36-31(29-33(2)3)30-34(4,5)6/h31H,7-30H2,1-6H3/q+1/p+1
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n/an/a 4.00E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92974
PNG
(Amphiphile, IX)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NCC[N+](C)(C)C
Show InChI InChI=1S/C33H58N4O4/c1-23(2)9-8-10-28(34)26-15-19-36-31-27(14-17-33(26,36)4)32(3)16-13-25(21-24(32)22-40-31)41-30(39)12-11-29(38)35-18-20-37(5,6)7/h22-23,25-28,31H,8-21,34H2,1-7H3/p+1
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n/an/a 5.90E+4n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92977
PNG
(Amphiphile, XII)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OCC[NH+](C)CC[NH+](C)C
Show InChI InChI=1S/C35H62N4O5/c1-25(2)9-8-10-30(36)28-15-18-39-33-29(14-17-35(28,39)4)34(3)16-13-27(23-26(34)24-43-33)44-32(41)12-11-31(40)42-22-21-38(7)20-19-37(5)6/h24-25,27-30,33H,8-23,36H2,1-7H3/p+2
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n/an/a 1.64E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92973
PNG
(Amphiphile, VIII)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)NCC[NH+](C)C
Show InChI InChI=1S/C32H56N4O4/c1-22(2)8-7-9-27(33)25-14-18-36-30-26(13-16-32(25,36)4)31(3)15-12-24(20-23(31)21-39-30)40-29(38)11-10-28(37)34-17-19-35(5)6/h21-22,24-27,30H,7-20,33H2,1-6H3,(H,34,37)/p+1
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n/an/a 1.91E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92972
PNG
(Amphiphile, VII)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[NH3+]
Show InChI InChI=1S/C30H52N2O/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-23-19-22(28(33)32-18-17-31)13-15-29(23,4)27(24)14-16-30(25,26)5/h9,20-22,24-27H,6-8,10-19,31H2,1-5H3,(H,32,33)/p+1
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n/an/a 2.46E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92968
PNG
(Amphiphile, III)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)NCC[NH+](C)C
Show InChI InChI=1S/C32H56N2O/c1-22(2)9-8-10-23(3)27-13-14-28-26-12-11-25-21-24(30(35)33-19-20-34(6)7)15-17-31(25,4)29(26)16-18-32(27,28)5/h11,22-24,26-29H,8-10,12-21H2,1-7H3,(H,33,35)/p+1
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n/an/a 2.58E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92975
PNG
(Amphiphile, X)
Show SMILES CC(C)CCCC(N)C1CCN2C3OC=C4CC(CCC4(C)C3CCC12C)OC(=O)CCC(=O)OC(C[NH+](C)C)C[NH+](C)C
Show InChI InChI=1S/C35H62N4O5/c1-24(2)10-9-11-30(36)28-16-19-39-33-29(15-18-35(28,39)4)34(3)17-14-26(20-25(34)23-42-33)43-31(40)12-13-32(41)44-27(21-37(5)6)22-38(7)8/h23-24,26-30,33H,9-22,36H2,1-8H3/p+2
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n/an/a 4.08E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C alpha


(Rattus norvegicus (Rat))
BDBM92970
PNG
(Amphiphile, V)
Show SMILES CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)C(=O)OC(C[NH+](C)C)C[NH+](C)C
Show InChI InChI=1S/C35H62N2O2/c1-24(2)11-10-12-25(3)30-15-16-31-29-14-13-27-21-26(33(38)39-28(22-36(6)7)23-37(8)9)17-19-34(27,4)32(29)18-20-35(30,31)5/h13,24-26,28-32H,10-12,14-23H2,1-9H3/p+2
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n/an/a 6.43E+5n/an/an/an/a7.530



McMaster University



Assay Description
The triton X-100 assay previously described by Bell and co-workers were used to measure enzyme activity.


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%