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BDBM50132308 20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione::CHEMBL321529

SMILES: OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21

InChI Key: InChIKey=YZCCPMVBDYCXOW-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50132308   
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
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 440n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


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


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


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


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 58n/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
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 1.57E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


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


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 68n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


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


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50132308
PNG
(20-(2-hydroxyethyl)-17,23-dioxa-4,14,20,26-tetraaz...)
Show SMILES OCCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C30H32N4O5/c35-14-9-32-10-15-38-17-12-33-19-23(21-5-1-3-7-25(21)33)27-28(30(37)31-29(27)36)24-20-34(13-18-39-16-11-32)26-8-4-2-6-22(24)26/h1-8,19-20,35H,9-18H2,(H,31,36,37)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Glycogen synthase kinase-3 beta


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


BindingDB Entry DOI: 10.7270/Q2DR2TVT
More data for this
Ligand-Target Pair