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PDB code 4MLH

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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-4

  (450/450 = 100%)
(Homo sapiens (Human))
BDBM50441143
PNG
(CHEMBL2430855)
Show SMILES Cc1csc(Nc2ncc(C)cc2OCc2ccccc2)n1
Show InChI InChI=1S/C17H17N3OS/c1-12-8-15(21-10-14-6-4-3-5-7-14)16(18-9-12)20-17-19-13(2)11-22-17/h3-9,11H,10H2,1-2H3,(H,18,19,20)
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
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Similars

PDB
Article
PubMed
n/an/an/an/a 2.64E+3n/an/an/an/a



Array BioPharma

Curated by ChEMBL


Assay Description
Allosteric activation of human glucokinase using glucose as substrate measured every 10 secs for 5 mins


J Med Chem 56: 7669-78 (2013)


Article DOI: 10.1021/jm401116k
BindingDB Entry DOI: 10.7270/Q2XP76BH
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