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SMILES: CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)sc1Cl

InChI Key: InChIKey=GALVBRBWHCZRMD-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260396   
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))		BDBM260396
PNG
(US9527838, 24)
Show SMILES CCOC(=O)Cc1nc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)sc1Cl
Show InChI InChI=1S/C22H18ClFN6O3S3/c1-3-33-17(31)10-14-19(23)36-21(26-14)28-20(32)18-15(34-13-6-4-12(24)5-7-13)8-9-16(27-18)35-22-29-25-11-30(22)2/h4-9,11H,3,10H2,1-2H3,(H,26,28,32)
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US Patent
n/an/an/an/a 8n/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