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SMILES: Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CCCC2)s1

InChI Key: InChIKey=NQXNVQDFPSSMKO-LJQANCHMSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50251450   
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-4


(Homo sapiens (Human))		BDBM50251450
PNG
((R)-2-(4-(cyclopentylsulfonyl)phenyl)-N-(5-fluorot...)
Show SMILES Fc1cnc(NC(=O)[C@H](CC2CCOCC2)c2ccc(cc2)S(=O)(=O)C2CCCC2)s1 |r|
Show InChI InChI=1S/C22H27FN2O4S2/c23-20-14-24-22(30-20)25-21(26)19(13-15-9-11-29-12-10-15)16-5-7-18(8-6-16)31(27,28)17-3-1-2-4-17/h5-8,14-15,17,19H,1-4,9-13H2,(H,24,25,26)/t19-/m1/s1
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MMDB

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Similars
Article
PubMed
n/an/an/an/a 70n/an/an/an/a



Oxford OX4 6LT

Curated by ChEMBL


Assay Description
Activation of GST fused human liver glucokinase assessed as generation of NADPH by G6PDH coupled assay

J Med Chem 51: 4340-5 (2008)


Article DOI: 10.1021/jm8003202
BindingDB Entry DOI: 10.7270/Q2R49QKJ
More data for this
Ligand-Target Pair