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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 12 entry = 50037191   
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))
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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Article
PubMed
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))
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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Article
PubMed
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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Article
PubMed
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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Article
PubMed
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