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PubMed code 10328291

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
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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PubMed
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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PubMed
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))
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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PubMed
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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PubMed
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
* indicates data uncertainty>20%