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BDBM50132319 20-isopropyl-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::CHEMBL421217

SMILES: CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21

InChI Key: InChIKey=IJMSAWGGWOGISJ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50132319   
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))
BDBM50132319
PNG
(20-isopropyl-17,23-dioxa-4,14,20,26-tetraazahexacy...)
Show SMILES CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C31H34N4O4/c1-21(2)33-11-15-38-17-13-34-19-24(22-7-3-5-9-26(22)34)28-29(31(37)32-30(28)36)25-20-35(14-18-39-16-12-33)27-10-6-4-8-23(25)27/h3-10,19-21H,11-18H2,1-2H3,(H,32,36,37)
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PubMed
n/an/a 170n/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))
BDBM50132319
PNG
(20-isopropyl-17,23-dioxa-4,14,20,26-tetraazahexacy...)
Show SMILES CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C31H34N4O4/c1-21(2)33-11-15-38-17-13-34-19-24(22-7-3-5-9-26(22)34)28-29(31(37)32-30(28)36)25-20-35(14-18-39-16-12-33)27-10-6-4-8-23(25)27/h3-10,19-21H,11-18H2,1-2H3,(H,32,36,37)
PDB
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KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 17n/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
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50132319
PNG
(20-isopropyl-17,23-dioxa-4,14,20,26-tetraazahexacy...)
Show SMILES CC(C)N1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:12|
Show InChI InChI=1S/C31H34N4O4/c1-21(2)33-11-15-38-17-13-34-19-24(22-7-3-5-9-26(22)34)28-29(31(37)32-30(28)36)25-20-35(14-18-39-16-12-33)27-10-6-4-8-23(25)27/h3-10,19-21H,11-18H2,1-2H3,(H,32,36,37)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 400n/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