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BDBM50386917 CHEMBL2048662

SMILES: CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1

InChI Key: InChIKey=WYQFGFSCDJKYOY-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50386917   
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))
BDBM50386917
PNG
(CHEMBL2048662)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 10n/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of GSK3B in human Rd cells


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50386917
PNG
(CHEMBL2048662)
Show SMILES CCS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc([nH]c23)-c2ccsc2)cc1
Show InChI InChI=1S/C21H21N5O3S2/c1-2-31(28,29)26-16-5-3-14(4-6-16)7-10-23-21(27)17-8-11-22-20-18(17)24-19(25-20)15-9-12-30-13-15/h3-6,8-9,11-13,26H,2,7,10H2,1H3,(H,23,27)(H,22,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



CrystalGenomics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using phospho-CREB as substrate by beta counting method


Bioorg Med Chem Lett 22: 4221-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.060
BindingDB Entry DOI: 10.7270/Q2SQ91FN
More data for this
Ligand-Target Pair