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2 similar compounds to monomer 50008277

Compile data set for download or QSAR
Wt: 483.5
BDBM50008281
Wt: 465.5
BDBM50008280

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008281,50008280   
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))
BDBM50008281
PNG
(CHEMBL3235146)
Show SMILES Cc1cccnc1-c1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1ncc(F)s1
Show InChI InChI=1S/C23H18FN3O4S2/c1-14-4-3-9-25-21(14)15-10-16(22(28)27-23-26-13-20(24)32-23)12-18(11-15)31-17-5-7-19(8-6-17)33(2,29)30/h3-13H,1-2H3,(H,26,27,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 238n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair
Hexokinase type IV


(Homo sapiens (Human))
BDBM50008280
PNG
(CHEMBL3235145)
Show SMILES Cc1cccnc1-c1cc(Oc2ccc(cc2)S(C)(=O)=O)cc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C23H19N3O4S2/c1-15-4-3-9-24-21(15)16-12-17(22(27)26-23-25-10-11-31-23)14-19(13-16)30-18-5-7-20(8-6-18)32(2,28)29/h3-14H,1-2H3,(H,25,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/an/a 95n/an/an/an/a



Yuhan Research Institute

Curated by ChEMBL


Assay Description
Activation of recombinant human pancreatic glucokinase using 10 mM glucose by spectrophotometry


Bioorg Med Chem 22: 2280-93 (2014)


Article DOI: 10.1016/j.bmc.2014.02.009
BindingDB Entry DOI: 10.7270/Q2959K3X
More data for this
Ligand-Target Pair