BindingDB logo
myBDB logout

null

SMILES: CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC

InChI Key: InChIKey=GOMWXNSWFQGART-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 2 hits for monomerid = 50305581   
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
Fructose-1,6-bisphosphatase 1


(Mus musculus)
BDBM50305581
PNG
(CHEMBL590363 | N-(4-ethyl-5-(methylthio)thiazol-2-...)
Show SMILES CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC
Show InChI InChI=1S/C14H19N3O4S4/c1-4-9-12(22-3)24-14(15-9)16-13(19)17-25(20,21)11-7-8(2)10(23-11)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in mouse liver


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM50305581
PNG
(CHEMBL590363 | N-(4-ethyl-5-(methylthio)thiazol-2-...)
Show SMILES CCc1nc(NC(=O)NS(=O)(=O)c2cc(C)c(CCO)s2)sc1SC
Show InChI InChI=1S/C14H19N3O4S4/c1-4-9-12(22-3)24-14(15-9)16-13(19)17-25(20,21)11-7-8(2)10(23-11)5-6-18/h7,18H,4-6H2,1-3H3,(H2,15,16,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in human liver


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair