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Patent code US9409900

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Hexokinase-4


(Mus musculus (Mouse))		BDBM239066
PNG
(US9409900, 13)
Show SMILES Cc1cnc(Nc2ccc(Oc3ccc(nc3)S(C)(=O)=O)c(CN3CCCC3=O)c2)s1
Show InChI InChI=1S/C21H22N4O4S2/c1-14-11-23-21(30-14)24-16-5-7-18(15(10-16)13-25-9-3-4-20(25)26)29-17-6-8-19(22-12-17)31(2,27)28/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,24)
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
Hexokinase-4


(Mus musculus (Mouse))		BDBM239068
PNG
(US9409900, 65)
Show SMILES CN(C)C(=O)c1ccc(Oc2ccc(Nc3ccccn3)cc2CN2CCCC2=O)cn1
Show InChI InChI=1S/C24H25N5O3/c1-28(2)24(31)20-10-9-19(15-26-20)32-21-11-8-18(27-22-6-3-4-12-25-22)14-17(21)16-29-13-5-7-23(29)30/h3-4,6,8-12,14-15H,5,7,13,16H2,1-2H3,(H,25,27)
PDB

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UniChem
US Patent
n/an/an/an/a 5.00E+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
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
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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
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
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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
* indicates data uncertainty>20%