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BDBM68351 4,5-Dichloro-isothiazole-3-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-ethyl ester::4,5-dichloro-3-isothiazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester::4,5-dichloroisothiazole-3-carboxylic acid [2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester::MLS000074009::SMR000006589::[1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4,5-bis(chloranyl)-1,2-thiazole-3-carboxylate::[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4,5-dichloro-1,2-thiazole-3-carboxylate::cid_647786

SMILES: CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1

InChI Key: InChIKey=XWFUUIKRNQMEEN-UHFFFAOYSA-N

Data: 1 EC50

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 = 68351   
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))
BDBM68351
PNG
(4,5-Dichloro-isothiazole-3-carboxylic acid 1-[(fur...)
Show SMILES CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1ccco1
Show InChI InChI=1S/C12H10Cl2N2O4S/c1-6(11(17)15-5-7-3-2-4-19-7)20-12(18)9-8(13)10(14)21-16-9/h2-4,6H,5H2,1H3,(H,15,17)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.00E+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