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SMILES: OC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1

InChI Key: InChIKey=ABVQHDCAHJUSSP-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260412   
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))		BDBM260412
PNG
(US9527838, 40)
Show SMILES OC(=O)CCc1cnc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)s1
Show InChI InChI=1S/C23H17FN4O3S3/c24-14-4-6-15(7-5-14)32-17-9-10-19(34-18-3-1-2-12-25-18)27-21(17)22(31)28-23-26-13-16(33-23)8-11-20(29)30/h1-7,9-10,12-13H,8,11H2,(H,29,30)(H,26,28,31)
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US Patent
n/an/an/an/a 428n/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