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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Hexokinase-4' and Ligand = 'BDBM50447291'   
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


(Homo sapiens (Human))		BDBM50447291
PNG
(CHEMBL3114001)
Show SMILES Nc1ncc(cn1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H17F6N5O3S/c18-16(19,20)15(29,17(21,22)23)11-1-3-12(4-2-11)27-5-7-28(8-6-27)32(30,31)13-9-25-14(24)26-10-13/h1-4,9-10,29H,5-8H2,(H2,24,25,26)
PDB
MMDB

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PC cid
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Article
PubMed
n/an/a 316n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled human GK interaction with biotin-labeled human GKRP incubated for 20 mins prior to addition of fluorescein-labeled ...

J Med Chem 57: 325-38 (2014)


Article DOI: 10.1021/jm4016747
BindingDB Entry DOI: 10.7270/Q2Q241Q5
More data for this
Ligand-Target Pair