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PDB code 4ISF

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))
BDBM50431770
PNG
(CHEMBL2346899)
Show SMILES Fc1ccc2[nH]c(=O)n([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1 |r|
Show InChI InChI=1S/C20H21FN4O3S/c21-13-6-7-15-14(11-13)18(27)25(20(28)23-15)16(10-12-4-2-1-3-5-12)17(26)24-19-22-8-9-29-19/h6-9,11-12,16H,1-5,10H2,(H,23,28)(H,22,24,26)/t16-/m0/s1
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Article
PubMed
n/an/an/an/a 3.10E+3n/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Activation of glucokinase (unknown origin)


Bioorg Med Chem Lett 23: 2166-71 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.093
BindingDB Entry DOI: 10.7270/Q2W09791
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