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SMILES: CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1

InChI Key: InChIKey=UWYDPRVGVCNBGJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 260405   
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))		BDBM260405
PNG
(US9527838, 33)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2nc(Sc3ccccn3)ccc2Sc2ccc(F)cc2)n1
Show InChI InChI=1S/C24H19FN4O3S3/c1-2-32-21(30)13-16-14-33-24(27-16)29-23(31)22-18(34-17-8-6-15(25)7-9-17)10-11-20(28-22)35-19-5-3-4-12-26-19/h3-12,14H,2,13H2,1H3,(H,27,29,31)
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MMDB

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PC cid
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US Patent
n/an/an/an/a 4.66E+3n/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