BindingDB logo
myBDB logout

BDBM50248535 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide::5-(4-methyl-4H-1,2,4-triazol-3-ylthio)-2-(methylamino)-N-(4-methylthiazol-2-yl)benzamide::CHEMBL490961

SMILES: CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1

InChI Key: InChIKey=XRJAKERBMMBUGR-UHFFFAOYSA-N

Data: 2 EC50

PDB links: 1 PDB ID matches this monomer.

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 = 50248535   
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))
BDBM50248535
PNG
(2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(...)
Show SMILES CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 10 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.053
BindingDB Entry DOI: 10.7270/Q2PC3285
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hexokinase type IV


(Homo sapiens (Human))
BDBM50248535
PNG
(2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(...)
Show SMILES CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C15H16N6OS2/c1-9-7-23-14(18-9)19-13(22)11-6-10(4-5-12(11)16-2)24-15-20-17-8-21(15)3/h4-8,16H,1-3H3,(H,18,19,22)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/an/an/a 1.10E+3n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of human glucokinase by glucose-6-phosphate dehydrogenase coupled continuous spectrophotometric assay in presence of 2.5 mM glucose


Bioorg Med Chem Lett 19: 1357-60 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.053
BindingDB Entry DOI: 10.7270/Q2PC3285
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)