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SMILES: CS(=O)(=O)c1ccc(Oc2ccc(Nc3ccc(cn3)C(O)=O)cc2CN2CCCC2=O)cn1

InChI Key: InChIKey=ISVQLFKEZJXRNG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239065   
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


(Mus musculus (Mouse))		BDBM239065
PNG
(US9409900, 6)
Show SMILES CS(=O)(=O)c1ccc(Oc2ccc(Nc3ccc(cn3)C(O)=O)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C23H22N4O6S/c1-34(31,32)21-9-6-18(13-25-21)33-19-7-5-17(11-16(19)14-27-10-2-3-22(27)28)26-20-8-4-15(12-24-20)23(29)30/h4-9,11-13H,2-3,10,14H2,1H3,(H,24,26)(H,29,30)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.00E+3n/an/a7.1n/a



FUJIAN HAIXI PHARMACEUTICALS, INC.; BETTA PHARMACUETICALS CO., LTD.

US Patent


Assay Description
The final assay volume was 200 uL and the final buffer conditions used in this assay were as follows: 25 mM HEPES, 5 mM glucose, 1 mM ATP, 2 mM MgCl2...

US Patent US9409900 (2016)


BindingDB Entry DOI: 10.7270/Q2SF2V3P
More data for this
Ligand-Target Pair