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BDBM50133064 17,20,23-trioxa-4,12,14,26,28-pentaazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8,10,12,27,29,31-nonaene-3,5-dione::CHEMBL340776

SMILES: O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12

InChI Key: InChIKey=POFRSIZMPZFXPB-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50133064   
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
CaM kinase II


(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
Protein kinase C alpha type


(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 Protein kinase C alpha


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
Cyclin-dependent kinase 1


(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 Cyclin-dependent kinase 1


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
Cyclin-dependent kinase 2


(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 Cyclin-dependent kinase 2 (CDK2)


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
Protein kinase C, 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 Protein kinase C gamma (PKC-gamma)


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
PKC alpha and beta-2


(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 1.16E+3n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


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
Protein kinase C theta type


(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 Protein kinase C theta


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
Glycogen synthase kinase-3 beta


(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 34n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3beta (GSK3-beta)


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