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Compile Data Set for Download or QSAR

Found 26 hits Enz. Inhib. hit(s) with Target = 'Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma'   
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
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
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+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
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 25n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibition of Cyclin E-cyclin-dependent kinase 2


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50217536
PNG
(CHEMBL2369378)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O)-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O)-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C80H126N24O27/c1-41(2)36-55(99-64(110)44(7)91-68(114)50(23-15-17-33-90-80(125)131-40-48-21-11-13-27-59(48)104(128)129)94-67(113)49(81)22-14-16-32-89-79(124)130-39-47-20-10-12-26-58(47)103(126)127)74(120)96-52(25-19-35-88-78(85)86)70(116)95-51(24-18-34-87-77(83)84)71(117)97-53(28-30-60(82)105)72(118)98-54(29-31-61(106)107)69(115)92-46(9)66(112)102-63(43(5)6)75(121)100-56(38-62(108)109)73(119)93-45(8)65(111)101-57(76(122)123)37-42(3)4/h10-13,20-21,26-27,41-46,49-57,63H,14-19,22-25,28-40,81H2,1-9H3,(H2,82,105)(H,89,124)(H,90,125)(H,91,114)(H,92,115)(H,93,119)(H,94,113)(H,95,116)(H,96,120)(H,97,117)(H,98,118)(H,99,110)(H,100,121)(H,101,111)(H,102,112)(H,106,107)(H,108,109)(H,122,123)(H4,83,84,87)(H4,85,86,88)/t44-,45-,46-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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n/an/a 32n/an/an/an/an/an/a



Osaka National Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against CaMKII


Bioorg Med Chem Lett 9: 1093-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8H34
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50217537
PNG
(CHEMBL385035)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O)-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C69H116N22O22/c1-35(2)31-47(86-55(97)38(7)79-57(99)41(18-11-13-27-70)81-60(102)44(19-12-14-28-71)89-69(110)113-34-40-17-9-10-22-50(40)91(111)112)64(106)83-43(21-16-30-78-68(75)76)58(100)82-42(20-15-29-77-67(73)74)59(101)84-45(23-25-51(72)92)61(103)85-46(24-26-52(93)94)62(104)90-54(37(5)6)65(107)87-48(33-53(95)96)63(105)80-39(8)56(98)88-49(66(108)109)32-36(3)4/h9-10,17,22,35-39,41-49,54H,11-16,18-21,23-34,70-71H2,1-8H3,(H2,72,92)(H,79,99)(H,80,105)(H,81,102)(H,82,100)(H,83,106)(H,84,101)(H,85,103)(H,86,97)(H,87,107)(H,88,98)(H,89,110)(H,90,104)(H,93,94)(H,95,96)(H,108,109)(H4,73,74,77)(H4,75,76,78)/t38-,39-,41-,42-,43-,44-,45-,46-,47-,48-,49-,54-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Osaka National Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against CaMKII


Bioorg Med Chem Lett 9: 1093-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8H34
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM2581
PNG
(3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...)
Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)
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n/an/a 184n/an/an/an/an/an/a



Lilly Spain S.A.

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin D1-cyclin-dependent kinase 4 by measuring the phosphorylation of RbING


Bioorg Med Chem Lett 13: 3835-9 (2003)


BindingDB Entry DOI: 10.7270/Q2Z89BTC
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50132310
PNG
(20-ethyl-17,23-dioxa-4,14,20,26-tetraazahexacyclo[...)
Show SMILES CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
Show InChI InChI=1S/C30H32N4O4/c1-2-32-11-15-37-17-13-33-19-23(21-7-3-5-9-25(21)33)27-28(30(36)31-29(27)35)24-20-34(14-18-38-16-12-32)26-10-6-4-8-22(24)26/h3-10,19-20H,2,11-18H2,1H3,(H,31,35,36)
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n/an/a 780n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of PKC-beta II mediated IL-8 release from HEK293 cells by ELISA


Bioorg Med Chem Lett 13: 3049-53 (2003)


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50217535
PNG
(CHEMBL425458 | desLys-AIP)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C60H98N18O19/c1-29(2)25-40(75-48(85)34(9)70-60(96)97-28-35-15-11-10-12-16-35)55(92)72-37(18-14-24-67-59(64)65)51(88)71-36(17-13-23-66-58(62)63)52(89)73-38(19-21-43(61)79)53(90)74-39(20-22-44(80)81)50(87)68-33(8)49(86)78-46(31(5)6)56(93)76-41(27-45(82)83)54(91)69-32(7)47(84)77-42(57(94)95)26-30(3)4/h10-12,15-16,29-34,36-42,46H,13-14,17-28H2,1-9H3,(H2,61,79)(H,68,87)(H,69,91)(H,70,96)(H,71,88)(H,72,92)(H,73,89)(H,74,90)(H,75,85)(H,76,93)(H,77,84)(H,78,86)(H,80,81)(H,82,83)(H,94,95)(H4,62,63,66)(H4,64,65,67)/t32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Osaka National Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against CaMKII


Bioorg Med Chem Lett 9: 1093-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8H34
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50217534
PNG
(CHEMBL413614)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1-[#7+](-[#8-])=O)-[#6](-[#6])-[#6])-[#6](-[#8])=O
Show InChI InChI=1S/C77H121N23O26/c1-40(2)35-53(94-62(106)43(7)87-64(108)47(22-14-16-32-86-76(119)125-38-45-19-9-11-25-56(45)99(121)122)89-67(111)50(21-13-15-31-78)97-77(120)126-39-46-20-10-12-26-57(46)100(123)124)71(115)91-49(24-18-34-85-75(82)83)65(109)90-48(23-17-33-84-74(80)81)66(110)92-51(27-29-58(79)101)68(112)93-52(28-30-59(102)103)69(113)98-61(42(5)6)72(116)95-54(37-60(104)105)70(114)88-44(8)63(107)96-55(73(117)118)36-41(3)4/h9-12,19-20,25-26,40-44,47-55,61H,13-18,21-24,27-39,78H2,1-8H3,(H2,79,101)(H,86,119)(H,87,108)(H,88,114)(H,89,111)(H,90,109)(H,91,115)(H,92,110)(H,93,112)(H,94,106)(H,95,116)(H,96,107)(H,97,120)(H,98,113)(H,102,103)(H,104,105)(H,117,118)(H4,80,81,84)(H4,82,83,85)/t43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,61-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Osaka National Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity of compound against CaMKII


Bioorg Med Chem Lett 9: 1093-6 (1999)


BindingDB Entry DOI: 10.7270/Q2JW8H34
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128288
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-(1-piperidin-4-yl-1H-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCNCC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C26H24N4O2/c1-29-14-19(17-6-2-4-8-21(17)29)23-24(26(32)28-25(23)31)20-15-30(16-10-12-27-13-11-16)22-9-5-3-7-18(20)22/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128287
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-methyl-piperidi...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C27H26N4O2/c1-29-13-11-17(12-14-29)31-16-21(19-8-4-6-10-23(19)31)25-24(26(32)28-27(25)33)20-15-30(2)22-9-5-3-7-18(20)22/h3-10,15-17H,11-14H2,1-2H3,(H,28,32,33)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128282
PNG
(3-(1H-Indol-3-yl)-4-[1-(1-methyl-piperidin-4-yl)-1...)
Show SMILES CN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12 |t:11|
Show InChI InChI=1S/C26H24N4O2/c1-29-12-10-16(11-13-29)30-15-20(18-7-3-5-9-22(18)30)24-23(25(31)28-26(24)32)19-14-27-21-8-4-2-6-17(19)21/h2-9,14-16,27H,10-13H2,1H3,(H,28,31,32)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128281
PNG
(18-dimethylaminomethyl-(18S)-17-oxa-4,14,21-triaza...)
Show SMILES CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:10|
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/a 6.20E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128280
PNG
(3-[1-(1-Ethyl-piperidin-4-yl)-1H-indol-3-yl]-4-(1-...)
Show SMILES CCN1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:12|
Show InChI InChI=1S/C28H28N4O2/c1-3-31-14-12-18(13-15-31)32-17-22(20-9-5-7-11-24(20)32)26-25(27(33)29-28(26)34)21-16-30(2)23-10-6-4-8-19(21)23/h4-11,16-18H,3,12-15H2,1-2H3,(H,29,33,34)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128286
PNG
(3-[1-(1-Isopropyl-piperidin-4-yl)-1H-indol-3-yl]-4...)
Show SMILES CC(C)N1CCC(CC1)n1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H30N4O2/c1-18(2)32-14-12-19(13-15-32)33-17-23(21-9-5-7-11-25(21)33)27-26(28(34)30-29(27)35)22-16-31(3)24-10-6-4-8-20(22)24/h4-11,16-19H,12-15H2,1-3H3,(H,30,34,35)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50133058
PNG
(17,20,23,26-tetraoxa-4,12,14,29,31-pentaazahexacyc...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
Show InChI InChI=1S/C28H29N5O6/c34-27-23-21-17-32(25-19(21)3-1-5-29-25)7-9-36-11-13-38-15-16-39-14-12-37-10-8-33-18-22(24(23)28(35)31-27)20-4-2-6-30-26(20)33/h1-6,17-18H,7-16H2,(H,31,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50133059
PNG
(17,20,23-trioxa-4,12,14,26-tetraazahexacyclo[24.6....)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C27H26N4O5/c32-26-23-20-16-30(22-6-2-1-4-18(20)22)8-10-34-12-14-36-15-13-35-11-9-31-17-21(24(23)27(33)29-26)19-5-3-7-28-25(19)31/h1-7,16-17H,8-15H2,(H,29,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50133057
PNG
(17,20,23-trioxa-4,14,26-triazahexacyclo[24.6.1.17,...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C28H27N3O5/c32-27-25-21-17-30(23-7-3-1-5-19(21)23)9-11-34-13-15-36-16-14-35-12-10-31-18-22(26(25)28(33)29-27)20-6-2-4-8-24(20)31/h1-8,17-18H,9-16H2,(H,29,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128285
PNG
(3-(1-Methyl-1H-indol-3-yl)-4-[1-(1-pyridin-2-ylmet...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H29N5O2/c1-35-19-25(23-9-2-4-11-27(23)35)29-30(32(39)34-31(29)38)26-20-37(28-12-5-3-10-24(26)28)22-13-16-36(17-14-22)18-21-8-6-7-15-33-21/h2-12,15,19-20,22H,13-14,16-18H2,1H3,(H,34,38,39)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50133064
PNG
(17,20,23-trioxa-4,12,14,26,28-pentaazahexacyclo[24...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
Show InChI InChI=1S/C26H25N5O5/c32-25-21-19-15-30(23-17(19)3-1-5-27-23)7-9-34-11-13-36-14-12-35-10-8-31-16-20(22(21)26(33)29-25)18-4-2-6-28-24(18)31/h1-6,15-16H,7-14H2,(H,29,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


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


J Med Chem 46: 4021-31 (2003)


Article DOI: 10.1021/jm030115o
BindingDB Entry DOI: 10.7270/Q2G44R1D
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128290
PNG
(3-[1-(1-Cyclopropylmethyl-piperidin-4-yl)-1H-indol...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(CC4CC4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C30H30N4O2/c1-32-17-23(21-6-2-4-8-25(21)32)27-28(30(36)31-29(27)35)24-18-34(26-9-5-3-7-22(24)26)20-12-14-33(15-13-20)16-19-10-11-19/h2-9,17-20H,10-16H2,1H3,(H,31,35,36)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128284
PNG
(3-(1-(1-benzylpiperidin-4-yl)-1H-indol-3-yl)-4-(1-...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)CC3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C33H30N4O2/c1-35-20-26(24-11-5-7-13-28(24)35)30-31(33(39)34-32(30)38)27-21-37(29-14-8-6-12-25(27)29)23-15-17-36(18-16-23)19-22-9-3-2-4-10-22/h2-14,20-21,23H,15-19H2,1H3,(H,34,38,39)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50189603
PNG
(CHEMBL377734 | N-cyclopropyl-2,4-difluoro-5-((2-(p...)
Show SMILES Fc1cc(F)c(cc1NCc1cnc(Nc2ccccn2)s1)C(=O)NC1CC1
Show InChI InChI=1S/C19H17F2N5OS/c20-14-8-15(21)16(7-13(14)18(27)25-11-4-5-11)23-9-12-10-24-19(28-12)26-17-3-1-2-6-22-17/h1-3,6-8,10-11,23H,4-5,9H2,(H,25,27)(H,22,24,26)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CaMK2


J Med Chem 49: 3766-9 (2006)


Article DOI: 10.1021/jm060347y
BindingDB Entry DOI: 10.7270/Q2PG1RBM
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50128283
PNG
(3-[1-(1-Benzyl-pyrrolidin-3-yl)-1H-indol-3-yl]-4-(...)
Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccc4)C3)c3ccccc23)c2ccccc12 |t:4|
Show InChI InChI=1S/C32H28N4O2/c1-34-19-25(23-11-5-7-13-27(23)34)29-30(32(38)33-31(29)37)26-20-36(28-14-8-6-12-24(26)28)22-15-16-35(18-22)17-21-9-3-2-4-10-21/h2-14,19-20,22H,15-18H2,1H3,(H,33,37,38)
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n/an/a 5.90E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of purified mammalian brain [Ca(2+)]/Calmodulin dependent kinase


Bioorg Med Chem Lett 13: 1857-9 (2003)


BindingDB Entry DOI: 10.7270/Q2319V87
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha/beta/delta/gamma


(Homo sapiens (Human))
BDBM50139822
PNG
(10-Chloro-6-hydroxy-pyrido[1,2-a]quinolinylium; ch...)
Show SMILES Oc1cc2cccc[n+]2c2c(Cl)cccc12
Show InChI InChI=1S/C13H8ClNO/c14-11-6-3-5-10-12(16)8-9-4-1-2-7-15(9)13(10)11/h1-8H/p+1
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n/an/a 7.60E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [Ca(2+)]/Calmodulin dependent kinase II


Bioorg Med Chem Lett 7: 961-964 (1997)


Article DOI: 10.1016/S0960-894X(97)00127-3
BindingDB Entry DOI: 10.7270/Q2HM58GZ
More data for this
Ligand-Target Pair