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BDBM50487411 CHEMBL427882::CT-20026

SMILES: CN1CCN(C(=O)C1)c1cnc(NCCNc2ccc(c(N)n2)[N+]([O-])=O)nc1-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=WVICCKVXWUMEBF-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50487411   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50487411
PNG
(CHEMBL427882 | CT-20026)
Show SMILES CN1CCN(C(=O)C1)c1cnc(NCCNc2ccc(c(N)n2)[N+]([O-])=O)nc1-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H23Cl2N9O3/c1-31-8-9-32(19(34)12-31)17-11-28-22(30-20(17)14-3-2-13(23)10-15(14)24)27-7-6-26-18-5-4-16(33(35)36)21(25)29-18/h2-5,10-11H,6-9,12H2,1H3,(H3,25,26,29)(H,27,28,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GSK3beta (unknown origin) expressed in Sf9 cells using GS1 as substrate and [gamma32]ATP after 30 min by scinitllation counting


Citation and Details

Article DOI: 10.1007/s00044-007-9086-8
BindingDB Entry DOI: 10.7270/Q2319ZRR
More data for this
Ligand-Target Pair