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BDBM50133063 17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8,10,12,24,26,28-nonaene-3,5-dione::CHEMBL131035

SMILES: O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12

InChI Key: InChIKey=BIGPNLBOTAHTOI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50133063   
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
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50133063
PNG
(17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.0...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 136n/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
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50133063
PNG
(17,20-dioxa-4,14,23-triazahexacyclo[21.6.1.17,14.0...)
Show SMILES O=C1NC(=O)C2=C1c1cn(CCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
Show InChI InChI=1S/C26H23N3O4/c30-25-23-19-15-28(21-7-3-1-5-17(19)21)9-11-32-13-14-33-12-10-29-16-20(24(23)26(31)27-25)18-6-2-4-8-22(18)29/h1-8,15-16H,9-14H2,(H,27,30,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.73E+3n/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