BindingDB logo
myBDB logout

BDBM50294866 (+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfonyl)phenoxy]-N-1,3-thiazol-2-ylbenzamide::CHEMBL561049

SMILES: CC(CN)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1

InChI Key: InChIKey=QIUSLJYMNMJMRD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50294866   
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
Hexokinase type IV


(Homo sapiens (Human))
BDBM50294866
PNG
((+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfo...)
Show SMILES CC(CN)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H21N3O5S2/c1-13(12-21)27-16-9-14(19(24)23-20-22-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 210n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...


Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50294866
PNG
((+/-)-3-(2-Amino-1-methylethoxy)-5-[4-(methylsulfo...)
Show SMILES CC(CN)Oc1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C20H21N3O5S2/c1-13(12-21)27-16-9-14(19(24)23-20-22-7-8-29-20)10-17(11-16)28-15-3-5-18(6-4-15)30(2,25)26/h3-11,13H,12,21H2,1-2H3,(H,22,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of flag-tagged human recombinant liver glucokinase expressed in Escherichia coli by glucose-6-phosphate dehydrogenase coupled continuous s...


Bioorg Med Chem 17: 3800-9 (2009)


Article DOI: 10.1016/j.bmc.2009.04.040
BindingDB Entry DOI: 10.7270/Q21R6QJN
More data for this
Ligand-Target Pair