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SMILES: CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1

InChI Key: InChIKey=XENAIEQUTRDRQQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260390   
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))		BDBM260390
PNG
(US9527838, 18)
Show SMILES CCOC(=O)CSc1cnc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C22H19FN6O3S4/c1-3-32-17(30)11-33-18-10-24-21(36-18)27-20(31)19-15(34-14-6-4-13(23)5-7-14)8-9-16(26-19)35-22-28-25-12-29(22)2/h4-10,12H,3,11H2,1-2H3,(H,24,27,31)
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US Patent
n/an/an/an/a 13.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Recombinant human liver glucokinase was expressed as a FLAG fusion protein in E. coli, and purified on ANTIFLAG M2 AFFINITY GEL (Sigma). The assay wa...

US Patent US9527838 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0MN1
More data for this
Ligand-Target Pair