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SMILES: OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1

InChI Key: InChIKey=PPRYPAUDEQCBJS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50377253   
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))
BDBM50377253
PNG
(CHEMBL257575)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26|
Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 51n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50377253
PNG
(CHEMBL257575)
Show SMILES OC(=O)c1ccc(Nc2ncc3nnn(c3n2)C23CC4CC(CC(O)(C4)C2)C3)cc1 |w:21.23,19.20,TLB:24:23:20.21.27:18,THB:22:23:20.21.27:18,26:23:20:27.17.18,26:17:20:25.22.23,24:23:20:27.17.18,TEB:22:21:18:25.23.26|
Show InChI InChI=1S/C21H22N6O3/c28-18(29)14-1-3-15(4-2-14)23-19-22-10-16-17(24-19)27(26-25-16)20-6-12-5-13(7-20)9-21(30,8-12)11-20/h1-4,10,12-13,30H,5-9,11H2,(H,28,29)(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 66n/an/an/an/an/an/a



Kemia, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


Bioorg Med Chem Lett 18: 3578-81 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.001
BindingDB Entry DOI: 10.7270/Q2571CXM
More data for this
Ligand-Target Pair