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Compile Data Set for Download or QSAR

Found 157 hits of kd data for polymerid = 4523   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


(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/an/a 0.100n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CAMK2A; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(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/an/a 0.160n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(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/an/a 0.160n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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 0.160n/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
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50505542
PNG
(CHEMBL4576489)
Show SMILES [H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
Show InChI InChI=1S/C50H56BF2N7O7/c1-30-26-31(2)59-39(30)27-33-15-14-32(60(33)51(59,52)53)16-17-41(61)54-18-20-64-22-24-66-25-23-65-21-19-56(4)40-28-42-57-37-12-8-6-10-34(37)44-45-36(29-55-49(45)62)43-35-11-7-9-13-38(35)58(47(43)46(44)57)50(3,67-42)48(40)63-5/h6-15,26-27,40,42,48H,16-25,28-29H2,1-5H3,(H,54,61)(H,55,62)/t40-,42-,48-,50+/m1/s1
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n/an/an/a 9n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full-length N-terminal GST-tagged CAMK2A expressed in baculovirus expression system using GS peptide as substra...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50308060
PNG
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)
Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1
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n/an/an/a 10n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK2A


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50505541
PNG
(CHEMBL4465866)
Show SMILES [H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
Show InChI InChI=1S/C49H54BF2N7O7/c1-29-25-30(2)58-39(29)26-32-14-13-31(59(32)50(58,51)52)15-16-40(60)54-18-20-64-22-24-65-23-21-63-19-17-53-36-27-41-56-37-11-7-5-9-33(37)43-44-35(28-55-48(44)61)42-34-10-6-8-12-38(34)57(46(42)45(43)56)49(3,66-41)47(36)62-4/h5-14,25-26,36,41,47,53H,15-24,27-28H2,1-4H3,(H,54,60)(H,55,61)/t36-,41-,47-,49+/m1/s1
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n/an/an/a 15n/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human full-length N-terminal GST-tagged CAMK2A expressed in baculovirus expression system using GS peptide as substra...


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126641
BindingDB Entry DOI: 10.7270/Q2RV0S0K
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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+/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM31094
PNG
(PKC-412 | cid_24202429)
Show SMILES [H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
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 20n/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
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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+/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50326053
PNG
(CHEMBL608533 | PKC-412)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
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+/m1/s1
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n/an/an/a 20n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK2A


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/an/a 46n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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 80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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 80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK2A


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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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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
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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 80n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605609
PNG
(CHEMBL5196669)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1c(Cl)cccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605603
PNG
(CHEMBL5191835)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1Cl
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50332294
PNG
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)
Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM15138
PNG
(5-indazolyl pyridine 11g | 5-{5-[(2S)-2-amino-3-ph...)
Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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n/an/an/a 320n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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 350n/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
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 26: 127-32 (2008)


Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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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Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding constant for CAMK2A kinase domain


Nat Biotechnol 29: 1046-51 (2011)


Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605608
PNG
(CHEMBL5181927)
Show SMILES OC(=O)Cc1ccc(O)cc1Oc1ccccc1
PDB
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Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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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Ambit Biosciences

Curated by ChEMBL


Assay Description
Average Binding Constant for CAMK2A; NA=Not Active at 10 uM


Nat Biotechnol 23: 329-36 (2005)


Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
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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Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of CAMK2a


Proc Natl Acad Sci USA 104: 19936-41 (2007)


Article DOI: 10.1073/pnas.0707498104
BindingDB Entry DOI: 10.7270/Q24X58QS
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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UniChem
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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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UniChem
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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50605605
PNG
(CHEMBL5198167)
Show SMILES Oc1ccc(Oc2ccccc2Cl)c(Cc2nnn[nH]2)c1
PDB
MMDB

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UniChem
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n/an/an/a 670n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02177
BindingDB Entry DOI: 10.7270/Q2GQ72VW
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50326054
PNG
(CHEMBL1240703)
Show SMILES CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C35H30N4O5/c1-35-31(43-3)23(37(2)34(42)18-11-5-4-6-12-18)17-24(44-35)38-21-15-9-7-13-19(21)25-27-28(33(41)36-32(27)40)26-20-14-8-10-16-22(20)39(35)30(26)29(25)38/h4-16,23-24,31,33,41H,17H2,1-3H3,(H,36,40)/t23-,24-,31-,33+,35+/m1/s1
PDB
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Similars

Article
PubMed
n/an/an/a 690n/an/an/an/an/a



Ambit Biosciences

Curated by ChEMBL


Assay Description
Binding affinity to CAMK2A


Blood 114: 2984-92 (2009)


Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit alpha


(Homo sapiens (Human))
BDBM50588629
PNG
(CHEMBL5170093)
Show SMILES OC1c2ccc(cc2CCC\C1=C/C(O)=O)-c1ccccc1
PDB
MMDB

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n/an/an/a 757n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00805
BindingDB Entry DOI: 10.7270/Q2KP863N
More data for this
Ligand-Target Pair
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