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PDB code 3A0I

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase type IV

  (450/450 = 100%)
(Homo sapiens (Human))
BDBM50294464
PNG
(3-(4-fluorophenylthio)-6-(4-methyl-4H-1,2,4-triazo...)
Show SMILES Cc1csc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C19H15FN6OS3/c1-11-9-28-18(22-11)24-17(27)16-14(29-13-5-3-12(20)4-6-13)7-8-15(23-16)30-19-25-21-10-26(19)2/h3-10H,1-2H3,(H,22,24,27)
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
DrugBank
PDB
Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Banyu Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Activation of glucokinase


Bioorg Med Chem Lett 19: 2718-21 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output