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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase II'   
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
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6838
PNG
(1-(2-{18-methyl-12,14-dioxo-3,13,18-triazahexacycl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(CC6)C(N)=O)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C29H27N5O3/c1-33-11-7-16-5-6-19-21(26(16)33)23-22(28(36)32-29(23)37)20-18-4-2-3-15(24(18)31-25(19)20)8-12-34-13-9-17(10-14-34)27(30)35/h2-7,11,17,31H,8-10,12-14H2,1H3,(H2,30,35)(H,32,36,37)
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n/an/a 25n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6840
PNG
(5-[2-(4-hydroxypiperidin-1-yl)ethyl]-18-methyl-3,1...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-7-16-5-6-19-21(26(16)31)23-22(27(34)30-28(23)35)20-18-4-2-3-15(24(18)29-25(19)20)8-12-32-13-9-17(33)10-14-32/h2-7,11,17,29,33H,8-10,12-14H2,1H3,(H,30,34,35)
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n/an/a 46n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6846
PNG
(5-{2-[(4-hydroxycyclohexyl)amino]ethyl}-18-methyl-...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C29H28N4O3/c1-33-14-12-16-5-10-20-22(27(16)33)24-23(28(35)32-29(24)36)21-19-4-2-3-15(25(19)31-26(20)21)11-13-30-17-6-8-18(34)9-7-17/h2-5,10,12,14,17-18,30-31,34H,6-9,11,13H2,1H3,(H,32,35,36)/t17-,18-
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n/an/a 49n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6858
PNG
(8-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C20H10BrN3O2/c21-9-5-3-7-11-13(9)14-16-15(19(25)24-20(16)26)12-8-4-1-2-6-10(8)22-17(12)18(14)23-11/h1-7,22-23H,(H,24,25,26)
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n/an/a 58n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6842
PNG
(18-methyl-5-[2-(piperidin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O2/c1-31-14-10-17-8-9-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-7-5-6-16(24(18)29-25(19)20)11-15-32-12-3-2-4-13-32/h5-10,14,29H,2-4,11-13,15H2,1H3,(H,30,33,34)
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n/an/a 62n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6837
PNG
(indolocarbazole deriv. 13a | methyl 1-(2-{18-methy...)
Show SMILES COC(=O)C1CCN(CCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C30H28N4O4/c1-33-12-8-17-6-7-20-22(27(17)33)24-23(28(35)32-29(24)36)21-19-5-3-4-16(25(19)31-26(20)21)9-13-34-14-10-18(11-15-34)30(37)38-2/h3-8,12,18,31H,9-11,13-15H2,1-2H3,(H,32,35,36)
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n/an/a 81n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6864
PNG
(6-methyl-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Cc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H13N3O2/c1-9-6-7-11-13(8-9)23-19-15(11)17-16(20(25)24-21(17)26)14-10-4-2-3-5-12(10)22-18(14)19/h2-8,22-23H,1H3,(H,24,25,26)
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n/an/a 82n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6841
PNG
(5-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCC[C@H]6CO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-12-9-16-7-8-19-21(26(16)31)23-22(27(34)30-28(23)35)20-18-6-2-4-15(24(18)29-25(19)20)10-13-32-11-3-5-17(32)14-33/h2,4,6-9,12,17,29,33H,3,5,10-11,13-14H2,1H3,(H,30,34,35)/t17-/m0/s1
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Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6862
PNG
(6-fluoro-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Fc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10FN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 92n/a 40n/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6843
PNG
(5-{2-[(2-hydroxyethyl)amino]ethyl}-18-methyl-3,13,...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C25H22N4O3/c1-29-11-8-14-5-6-16-18(23(14)29)20-19(24(31)28-25(20)32)17-15-4-2-3-13(7-9-26-10-12-30)21(15)27-22(16)17/h2-6,8,11,26-27,30H,7,9-10,12H2,1H3,(H,28,31,32)
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n/an/a 95n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM2672
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H11N3O2/c24-19-15-13-9-5-1-3-7-11(9)21-17(13)18-14(16(15)20(25)23-19)10-6-2-4-8-12(10)22-18/h1-8,21-22H,(H,23,24,25)
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n/an/a<125n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6768
PNG
(20-bromo-3-methyl-3,13,23-triazahexacyclo[14.7.0.0...)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(Br)cc4[nH]c3c12
Show InChI InChI=1S/C21H12BrN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)
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n/an/a 174n/a 80n/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6850
PNG
(5-[3-(diethylamino)propyl]-18-methyl-3,13,18-triaz...)
Show SMILES CCN(CC)CCCc1cccc2c1[nH]c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C28H28N4O2/c1-4-32(5-2)14-7-9-16-8-6-10-18-20-22-23(28(34)30-27(22)33)21-19(25(20)29-24(16)18)12-11-17-13-15-31(3)26(17)21/h6,8,10-13,15,29H,4-5,7,9,14H2,1-3H3,(H,30,33,34)
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n/an/a 174n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6844
PNG
(18-methyl-5-[2-(morpholin-4-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O3/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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n/an/a 177n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6851
PNG
(5-{3-[(4-hydroxycyclohexyl)amino]propyl}-18-methyl...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN[C@H]6CC[C@H](O)CC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C30H30N4O3/c1-34-15-13-17-7-12-21-23(28(17)34)25-24(29(36)33-30(25)37)22-20-6-2-4-16(26(20)32-27(21)22)5-3-14-31-18-8-10-19(35)11-9-18/h2,4,6-7,12-13,15,18-19,31-32,35H,3,5,8-11,14H2,1H3,(H,33,36,37)/t18-,19-
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n/an/a 216n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6856
PNG
(6-methoxy-3,13,23-triazahexacyclo[14.7.0.0^{2,10}....)
Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H13N3O3/c1-27-9-6-7-11-13(8-9)23-19-15(11)17-16(20(25)24-21(17)26)14-10-4-2-3-5-12(10)22-18(14)19/h2-8,22-23H,1H3,(H,24,25,26)
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n/an/a 236n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6848
PNG
(5-{3-[(2-hydroxyethyl)amino]propyl}-18-methyl-3,13...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCNCCO)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C26H24N4O3/c1-30-12-9-15-7-8-17-19(24(15)30)21-20(25(32)29-26(21)33)18-16-6-2-4-14(22(16)28-23(17)18)5-3-10-27-11-13-31/h2,4,6-9,12,27-28,31H,3,5,10-11,13H2,1H3,(H,29,32,33)
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n/an/a 266n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6839
PNG
(18-methyl-5-[2-(piperazin-1-yl)ethyl]-3,13,18-tria...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCNCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H25N5O2/c1-31-11-7-16-5-6-18-20(25(16)31)22-21(26(33)30-27(22)34)19-17-4-2-3-15(23(17)29-24(18)19)8-12-32-13-9-28-10-14-32/h2-7,11,28-29H,8-10,12-14H2,1H3,(H,30,33,34)
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n/an/a 301n/an/an/an/an/an/a



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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6847
PNG
(18-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-3,1...)
Show SMILES CN1CCN(CCCc2cccc3c2[nH]c2c3c3C(=O)NC(=O)c3c3c4n(C)ccc4ccc23)CC1
Show InChI InChI=1S/C29H29N5O2/c1-32-13-15-34(16-14-32)11-4-6-17-5-3-7-19-21-23-24(29(36)31-28(23)35)22-20(26(21)30-25(17)19)9-8-18-10-12-33(2)27(18)22/h3,5,7-10,12,30H,4,6,11,13-16H2,1-2H3,(H,31,35,36)
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n/an/a 382n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6845
PNG
(18-methyl-5-[2-(thiomorpholin-4-yl)ethyl]-3,13,18-...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCN6CCSCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C27H24N4O2S/c1-30-9-7-16-5-6-18-20(25(16)30)22-21(26(32)29-27(22)33)19-17-4-2-3-15(23(17)28-24(18)19)8-10-31-11-13-34-14-12-31/h2-7,9,28H,8,10-14H2,1H3,(H,29,32,33)
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n/an/a 403n/an/an/an/an/an/a



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Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6849
PNG
(18-methyl-5-[3-(morpholin-4-yl)propyl]-3,13,18-tri...)
Show SMILES Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4C(=O)NC(=O)c4c3c12
Show InChI InChI=1S/C28H26N4O3/c1-31-11-9-17-7-8-19-21(26(17)31)23-22(27(33)30-28(23)34)20-18-6-2-4-16(24(18)29-25(19)20)5-3-10-32-12-14-35-15-13-32/h2,4,6-9,11,29H,3,5,10,12-15H2,1H3,(H,30,33,34)
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n/an/a 516n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6829
PNG
(3-{2-[(2-hydroxyethyl)amino]ethyl}-6-methoxy-18-me...)
Show SMILES COc1ccc2c(c1)n(CCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C26H24N4O4/c1-29-10-7-14-3-5-17-20(23(14)29)22-21(25(32)28-26(22)33)19-16-6-4-15(34-2)13-18(16)30(24(17)19)11-8-27-9-12-31/h3-7,10,13,27,31H,8-9,11-12H2,1-2H3,(H,28,32,33)
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n/an/a 527n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6834
PNG
(3-{3-[(2-hydroxyethyl)amino]propyl}-6-methoxy-18-m...)
Show SMILES COc1ccc2c(c1)n(CCCNCCO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C27H26N4O4/c1-30-12-8-15-4-6-18-21(24(15)30)23-22(26(33)29-27(23)34)20-17-7-5-16(35-2)14-19(17)31(25(18)20)11-3-9-28-10-13-32/h4-8,12,14,28,32H,3,9-11,13H2,1-2H3,(H,29,33,34)
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n/an/a 732n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6854
PNG
(6-chloro-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0...)
Show SMILES Clc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10ClN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 914n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6830
PNG
(3-{2-[(4-hydroxycyclohexyl)amino]ethyl}-6-methoxy-...)
Show SMILES COc1ccc2c(c1)n(CCN[C@H]1CC[C@H](O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C30H30N4O4/c1-33-13-11-16-3-9-21-24(27(16)33)26-25(29(36)32-30(26)37)23-20-10-8-19(38-2)15-22(20)34(28(21)23)14-12-31-17-4-6-18(35)7-5-17/h3,8-11,13,15,17-18,31,35H,4-7,12,14H2,1-2H3,(H,32,36,37)/t17-,18-
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n/an/a 1.17E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6859
PNG
(7-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2[nH]c3c4[nH]c5ccccc5c4c4C(=O)NC(=O)c4c3c2c1
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-12-10(7-8)14-16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18(14)23-12/h1-7,22-23H,(H,24,25,26)
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n/an/a<1.25E+3n/a 70n/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6857
PNG
(6-bromo-20-methoxy-3,13,23-triazahexacyclo[14.7.0....)
Show SMILES COc1ccc2c(c1)[nH]c1c3[nH]c4cc(Br)ccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H12BrN3O3/c1-28-9-3-5-11-13(7-9)24-19-15(11)17-16(20(26)25-21(17)27)14-10-4-2-8(22)6-12(10)23-18(14)19/h2-7,23-24H,1H3,(H,25,26,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6855
PNG
(6-(trifluoromethyl)-3,13,23-triazahexacyclo[14.7.0...)
Show SMILES FC(F)(F)c1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C21H10F3N3O2/c22-21(23,24)8-5-6-10-12(7-8)26-18-14(10)16-15(19(28)27-20(16)29)13-9-3-1-2-4-11(9)25-17(13)18/h1-7,25-26H,(H,27,28,29)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6766
PNG
(20-fluoro-3-methyl-3,13,23-triazahexacyclo[14.7.0....)
Show SMILES Cn1c2ccccc2c2c3C(=O)NC(=O)c3c3c4ccc(F)cc4[nH]c3c12
Show InChI InChI=1S/C21H12FN3O2/c1-25-13-5-3-2-4-11(13)15-17-16(20(26)24-21(17)27)14-10-7-6-9(22)8-12(10)23-18(14)19(15)25/h2-8,23H,1H3,(H,24,26,27)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6831
PNG
(1-(3-{6-methoxy-18-methyl-12,14-dioxo-3,13,18-tria...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCC(CC1)C(N)=O)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C31H31N5O4/c1-34-13-8-17-4-6-21-24(27(17)34)26-25(30(38)33-31(26)39)23-20-7-5-19(40-2)16-22(20)36(28(21)23)12-3-11-35-14-9-18(10-15-35)29(32)37/h4-8,13,16,18H,3,9-12,14-15H2,1-2H3,(H2,32,37)(H,33,38,39)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6832
PNG
(3-[3-(4-hydroxypiperidin-1-yl)propyl]-6-methoxy-18...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCC(O)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C30H30N4O4/c1-32-13-8-17-4-6-21-24(27(17)32)26-25(29(36)31-30(26)37)23-20-7-5-19(38-2)16-22(20)34(28(21)23)12-3-11-33-14-9-18(35)10-15-33/h4-8,13,16,18,35H,3,9-12,14-15H2,1-2H3,(H,31,36,37)
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n/an/a 3.13E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6827
PNG
(3-{2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethyl}...)
Show SMILES COc1ccc2c(c1)n(CCN1CCC[C@H]1CO)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-9-16-5-7-20-23(26(16)31)25-24(28(35)30-29(25)36)22-19-8-6-18(37-2)14-21(19)33(27(20)22)13-12-32-10-3-4-17(32)15-34/h5-9,11,14,17,34H,3-4,10,12-13,15H2,1-2H3,(H,30,35,36)/t17-/m0/s1
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n/an/a 6.12E+3n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
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n/an/a 8.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


J Med Chem 48: 4208-11 (2005)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6870
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3f ...)
Show SMILES Cc1ccsc1C(=O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N
Show InChI InChI=1S/C14H14N6O3S2/c1-8-6-7-24-11(8)12(21)20-13(15)18-14(19-20)17-9-2-4-10(5-3-9)25(16,22)23/h2-7H,1H3,(H2,16,22,23)(H3,15,17,18,19)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


J Med Chem 48: 4208-11 (2005)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6861
PNG
(5-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1cccc2c1[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-10-6-3-5-9-13-15-14(19(25)24-20(15)26)12-8-4-1-2-7-11(8)22-17(12)18(13)23-16(9)10/h1-7,22-23H,(H,24,25,26)
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n/an/a 1.11E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6833
PNG
(6-methoxy-18-methyl-3-[3-(4-methylpiperazin-1-yl)p...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCN(C)CC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C30H31N5O3/c1-32-13-15-34(16-14-32)10-4-11-35-22-17-19(38-3)6-8-20(22)23-25-26(30(37)31-29(25)36)24-21(28(23)35)7-5-18-9-12-33(2)27(18)24/h5-9,12,17H,4,10-11,13-16H2,1-3H3,(H,31,36,37)
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n/an/a 1.16E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6860
PNG
(6-bromo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^...)
Show SMILES Brc1ccc2c(c1)[nH]c1c3[nH]c4ccccc4c3c3C(=O)NC(=O)c3c21
Show InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
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n/an/a 1.24E+4n/a 70n/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


J Med Chem 46: 2027-30 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6836
PNG
(6-methoxy-18-methyl-3-[3-(thiomorpholin-4-yl)propy...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCSCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O3S/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6835
PNG
(6-methoxy-18-methyl-3-[3-(morpholin-4-yl)propyl]-3...)
Show SMILES COc1ccc2c(c1)n(CCCN1CCOCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O4/c1-31-11-8-17-4-6-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-7-5-18(36-2)16-21(19)33(27(20)22)10-3-9-32-12-14-37-15-13-32/h4-8,11,16H,3,9-10,12-15H2,1-2H3,(H,30,34,35)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6828
PNG
(6-methoxy-18-methyl-3-[2-(piperidin-1-yl)ethyl]-3,...)
Show SMILES COc1ccc2c(c1)n(CCN1CCCCC1)c1c2c2C(=O)NC(=O)c2c2c3n(C)ccc3ccc12
Show InChI InChI=1S/C29H28N4O3/c1-31-13-10-17-6-8-20-23(26(17)31)25-24(28(34)30-29(25)35)22-19-9-7-18(36-2)16-21(19)33(27(20)22)15-14-32-11-4-3-5-12-32/h6-10,13,16H,3-5,11-12,14-15H2,1-2H3,(H,30,34,35)
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n/an/a>2.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories



Assay Description
In vitro kinase assay using purified enzyme, was incubated at room temperature with substrate, and test compounds in the presence of ATP/[gamma-33P]A...


Bioorg Med Chem Lett 13: 2261-7 (2003)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase II


(Bos taurus (Bovine))
BDBM50011236
PNG
(CHEMBL344314 | Isoquinoline-5-sulfonic acid (2-ami...)
Show SMILES NCCNS(=O)(=O)c1cccc2cnccc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-8-13-6-4-10(9)11/h1-4,6,8,14H,5,7,12H2
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n/an/a 5.80E+4n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


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Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6866
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3b ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=O)c1c(F)cccc1F
Show InChI InChI=1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


J Med Chem 48: 4208-11 (2005)

More data for this
Ligand-Target Pair
CaM Kinase II


(Rattus norvegicus (rat))
BDBM6867
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3c ...)
Show SMILES Cc1ccc(F)c(C(=O)n2nc(Nc3ccc(cc3)S(N)(=O)=O)nc2N)c1F
Show InChI InChI=1S/C16H14F2N6O3S/c1-8-2-7-11(17)12(13(8)18)14(25)24-15(19)22-16(23-24)21-9-3-5-10(6-4-9)28(20,26)27/h2-7H,1H3,(H2,20,26,27)(H3,19,21,22,23)
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical



Assay Description
The enzyme was assayed with a biotinylated peptide substrate and test compounds in the presence of 10 uM ATP/[gamma-33P]ATP in a streptavidin coated...


J Med Chem 48: 4208-11 (2005)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase II


(Bos taurus (Bovine))
BDBM92674
PNG
(Isoquinolinesulfonamide, CKI-7)
Show SMILES NCCNS(=O)(=O)c1ccc(Cl)c2ccncc12
Show InChI InChI=1S/C11H12ClN3O2S/c12-10-1-2-11(18(16,17)15-6-4-13)9-7-14-5-3-8(9)10/h1-3,5,7,15H,4,6,13H2
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n/an/a 1.95E+5n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase II


(Bos taurus (Bovine))
BDBM92673
PNG
(Isoquinolinesulfonamide, CKI-6)
Show SMILES NCCNS(=O)(=O)c1cccc2ccncc12
Show InChI InChI=1S/C11H13N3O2S/c12-5-7-14-17(15,16)11-3-1-2-9-4-6-13-8-10(9)11/h1-4,6,8,14H,5,7,12H2
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PubMed
n/an/a 8.40E+5n/an/an/an/a7.430



Nagoya University School of Medicine



Assay Description
Casein kinase activities were determined under the conditions as described by Huang et al (1982).


Citation and Details
More data for this
Ligand-Target Pair