BindingDB logo
myBDB logout

BDBM50523837 CHEMBL4454916

SMILES: Oc1ccc(\C=C2/C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)cc1

InChI Key: InChIKey=FGLCCFCTLCHUMF-UNOMPAQXSA-N

Data: 1 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 1 hit for monomerid = 50523837   
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))
BDBM50523837
PNG
(CHEMBL4454916)
Show SMILES Oc1ccc(\C=C2/C(=O)Nc3ccc(NC(=O)c4ccccc4)cc23)cc1
Show InChI InChI=1S/C22H16N2O3/c25-17-9-6-14(7-10-17)12-19-18-13-16(8-11-20(18)24-22(19)27)23-21(26)15-4-2-1-3-5-15/h1-13,25H,(H,23,26)(H,24,27)/b19-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.34E+3n/an/an/an/an/an/a



Lomonosov Moscow State University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GSK3beta using YRRAAVPPSPSLSRHSSPHQ(pS)EDEEE as substrate measured after 60 mins by ADP-Glo luminescence assay


Bioorg Med Chem 27: 1804-1817 (2019)


Article DOI: 10.1016/j.bmc.2019.03.028
More data for this
Ligand-Target Pair