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

InChI Key: InChIKey=UQGGNOAQMJSJGS-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 239067   
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))		BDBM239067
PNG
(US9409900, 78)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(Nc3ccc(CCC(O)=O)cn3)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C27H29N5O5/c1-31(2)27(36)22-9-8-21(16-28-22)37-23-10-7-20(14-19(23)17-32-13-3-4-25(32)33)30-24-11-5-18(15-29-24)6-12-26(34)35/h5,7-11,14-16H,3-4,6,12-13,17H2,1-2H3,(H,29,30)(H,34,35)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.50E+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