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Compile Data Set for Download or QSAR

Found 753 hits Enz. Inhib. hit(s) with Target = 'CaM 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))
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
Ligand-Target Pair
CAMK2B


(Homo sapiens)
BDBM15211
PNG
(CHEMBL104264 | H-89 | H89 | HT-89 (H-89) | N-(2-{[...)
Show SMILES Brc1ccc(\C=C\CNCCNS(=O)(=O)c2cccc3cnccc23)cc1
Show InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/b3-2+
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2.97E+4 -26.3n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
More data for this
Ligand-Target Pair
CAMK2B


(Homo sapiens)
BDBM92607
PNG
(H-88)
Show SMILES O=S(=O)(NCCNC\C=C\c1ccccc1)c1cccc2cnccc12
Show InChI InChI=1S/C20H21N3O2S/c24-26(25,20-10-4-9-18-16-22-13-11-19(18)20)23-15-14-21-12-5-8-17-6-2-1-3-7-17/h1-11,13,16,21,23H,12,14-15H2/b8-5+
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7.13E+4 -24.1n/an/an/an/an/an/a30



Nagoya University School of Medicine



Assay Description
Protein kinase C, cAMP dependent protein kinase, cGMP dependent protein kinase and myosin light chain kinase activity were measure under conditions d...


J Biol Chem 265: 5267-72 (1990)


BindingDB Entry DOI: 10.7270/Q2QR4VRF
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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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n/an/a 90n/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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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



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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)


Article DOI: 10.1016/s0960-894x(03)00461-x
BindingDB Entry DOI: 10.7270/Q29W0CPW
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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



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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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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



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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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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



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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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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



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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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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



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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...


J Med Chem 46: 2027-30 (2003)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
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)


Article DOI: 10.1021/jm0256169
BindingDB Entry DOI: 10.7270/Q2668BCN
More data for this
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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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)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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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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)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
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)


Article DOI: 10.1021/jm050267e
BindingDB Entry DOI: 10.7270/Q22F7KNX
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM31099
PNG
(2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S)-3-hydroxy...)
Show SMILES CN1CCC([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
Show InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12?,17-/m1/s1
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n/an/an/a 1.70E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM17055
PNG
((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21
Show InChI InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1
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n/an/an/a 4.50E+6n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES CO[C@H]1[C@H](C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1
Show InChI InChI=1S/C35H30N4O4/c1-35-32(42-3)25(37(2)34(41)19-11-5-4-6-12-19)17-26(43-35)38-23-15-9-7-13-20(23)28-29-22(18-36-33(29)40)27-21-14-8-10-16-24(21)39(35)31(27)30(28)38/h4-16,25-26,32H,17-18H2,1-3H3,(H,36,40)/t25-,26-,32-,35+/m0/s1
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n/an/an/a 2.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM31095
PNG
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1
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n/an/an/a 3.50E+5n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM31096
PNG
(CHEMBL290084 | Staurosporine | cid_451705)
Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1
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n/an/an/a 160n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
CAMK2A


(Homo sapiens)
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/an/a 8.00E+4n/an/an/an/an/a



Ambit Biosciences

Curated by PubChem BioAssay


Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2S180WS
More data for this
Ligand-Target Pair
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