BindingDB logo
myBDB logout

null

SMILES: COC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1

InChI Key: InChIKey=UBKMKNGBMOPGPU-UHFFFAOYSA-N

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 1 hit for monomerid = 50469297   
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))		BDBM50469297
PNG
(CHEMBL4293899)
Show SMILES COC(=O)c1ccc(cc1)C1CC(=O)N(Cc2ccccc2[N+]([O-])=O)c2ccccc2S1
Show InChI InChI=1S/C24H20N2O5S/c1-31-24(28)17-12-10-16(11-13-17)22-14-23(27)25(20-8-4-5-9-21(20)32-22)15-18-6-2-3-7-19(18)26(29)30/h2-13,22H,14-15H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His6-tagged human GSK-3beta expressed in Baculovirus infected SF9 cells using prephosphorylated-GS2 polype...

Bioorg Med Chem 26: 5479-5493 (2018)


Article DOI: 10.1016/j.bmc.2018.09.027
BindingDB Entry DOI: 10.7270/Q2319ZMZ
More data for this
Ligand-Target Pair