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BDBM69381 3-[3-(3-chlorophenyl)-4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]pyrazol-1-yl]propionic acid::3-[3-(3-chlorophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]pyrazol-1-yl]propanoic acid::3-[3-(3-chlorophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-1-pyrazolyl]propanoic acid::3-[3-(3-chlorophenyl)-4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]pyrazol-1-yl]propanoic acid::MLS000775413::SMR000368502::cid_2389793

SMILES: CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1cccc(Cl)c1)\C#N

InChI Key: InChIKey=WQRKFYPWVWWXNC-MDWZMJQESA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 69381   
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))
BDBM69381
PNG
(3-[3-(3-chlorophenyl)-4-[(E)-2-cyano-3-ethoxy-3-ke...)
Show SMILES CCOC(=O)C(=C\c1cn(CCC(O)=O)nc1-c1cccc(Cl)c1)\C#N
Show InChI InChI=1S/C18H16ClN3O4/c1-2-26-18(25)13(10-20)8-14-11-22(7-6-16(23)24)21-17(14)12-4-3-5-15(19)9-12/h3-5,8-9,11H,2,6-7H2,1H3,(H,23,24)/b13-8+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: GSK3beta, dose response, kinase, inhibition, HTS Assay Overview: The glycogen synthase kinase-3 beta (GSK-3b) is a known master regulator f...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2TX3CTT
More data for this
Ligand-Target Pair