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Compile Data Set for Download or QSAR

Found 12 hits with Last Name = 'wainwright' and Initial = 'ms'   
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
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50469778
PNG
(CHEMBL116963)
Show SMILES N=c1ccc(nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50469776
PNG
(CHEMBL117443)
Show SMILES Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C26H34N6O/c1-21-16-18-24(27)32(31-21)20-12-7-5-3-2-4-6-11-15-26(33)28-25-19-17-23(29-30-25)22-13-9-8-10-14-22/h8-10,13-14,16-19,27H,2-7,11-12,15,20H2,1H3,(H,28,30,33)
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n/an/a 3.10E+4n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50074289
PNG
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)
Show SMILES Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))
BDBM50469776
PNG
(CHEMBL117443)
Show SMILES Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C26H34N6O/c1-21-16-18-24(27)32(31-21)20-12-7-5-3-2-4-6-11-15-26(33)28-25-19-17-23(29-30-25)22-13-9-8-10-14-22/h8-10,13-14,16-19,27H,2-7,11-12,15,20H2,1H3,(H,28,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50469777
PNG
(CHEMBL115531)
Show SMILES N=c1cc2CCc3ccccc3-c2nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C33H38N6O/c34-30-24-27-20-19-25-14-11-12-17-28(25)33(27)38-39(30)23-13-6-4-2-1-3-5-10-18-32(40)35-31-22-21-29(36-37-31)26-15-8-7-9-16-26/h7-9,11-12,14-17,21-22,24,34H,1-6,10,13,18-20,23H2,(H,35,37,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50469778
PNG
(CHEMBL116963)
Show SMILES N=c1ccc(nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))
BDBM50074289
PNG
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)
Show SMILES Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))
BDBM50469778
PNG
(CHEMBL116963)
Show SMILES N=c1ccc(nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H36N6O/c32-29-22-20-28(26-17-11-8-12-18-26)36-37(29)24-14-6-4-2-1-3-5-13-19-31(38)33-30-23-21-27(34-35-30)25-15-9-7-10-16-25/h7-12,15-18,20-23,32H,1-6,13-14,19,24H2,(H,33,35,38)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit gamma


(Homo sapiens (Human))
BDBM50469777
PNG
(CHEMBL115531)
Show SMILES N=c1cc2CCc3ccccc3-c2nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C33H38N6O/c34-30-24-27-20-19-25-14-11-12-17-28(25)33(27)38-39(30)23-13-6-4-2-1-3-5-10-18-32(40)35-31-22-21-29(36-37-31)26-15-8-7-9-16-26/h7-9,11-12,14-17,21-22,24,34H,1-6,10,13,18-20,23H2,(H,35,37,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Calcium/calmodulin-dependent protein kinase type II


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50074289
PNG
((4-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-...)
Show SMILES Cc1cc(nnc1NCCN1CCOCC1)-c1ccccc1
Show InChI InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
O94806/P05129/P05771/P17252/P24723/P41743/Q02156/Q04759/Q05513/Q05655/Q15139


(Homo sapiens (Human))
BDBM50469777
PNG
(CHEMBL115531)
Show SMILES N=c1cc2CCc3ccccc3-c2nn1CCCCCCCCCCC(=O)Nc1ccc(nn1)-c1ccccc1
Show InChI InChI=1S/C33H38N6O/c34-30-24-27-20-19-25-14-11-12-17-28(25)33(27)38-39(30)23-13-6-4-2-1-3-5-10-18-32(40)35-31-22-21-29(36-37-31)26-15-8-7-9-16-26/h7-9,11-12,14-17,21-22,24,34H,1-6,10,13,18-20,23H2,(H,35,37,40)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase catalytic subunit gamma


(Homo sapiens (Human))
BDBM50469776
PNG
(CHEMBL117443)
Show SMILES Cc1ccc(=N)n(CCCCCCCCCCC(=O)Nc2ccc(nn2)-c2ccccc2)n1
Show InChI InChI=1S/C26H34N6O/c1-21-16-18-24(27)32(31-21)20-12-7-5-3-2-4-6-11-15-26(33)28-25-19-17-23(29-30-25)22-13-9-8-10-14-22/h8-10,13-14,16-19,27H,2-7,11-12,15,20H2,1H3,(H,28,30,33)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Northwestern University

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase A


Bioorg Med Chem Lett 13: 3465-70 (2003)


Article DOI: 10.1016/s0960-894x(03)00733-9
BindingDB Entry DOI: 10.7270/Q2V69N9R
More data for this
Ligand-Target Pair