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Patent code US8541596

Compile Data Set for Download or QSAR
Found 10 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
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102923
PNG
(US8541596, 54)
Show SMILES COc1ccc(CN(Cc2ccc(SC)cc2)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C23H23N3OS/c1-27-20-8-3-17(4-9-20)14-26(15-18-5-10-21(28-2)11-6-18)19-7-12-22-23(13-19)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
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US Patent
 194n/a 2.65E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102924
PNG
(US8541596, 55)
Show SMILES COc1cccc(CN(Cc2ccc(SC)cc2)c2ccc3nc[nH]c3c2)c1
Show InChI InChI=1S/C23H23N3OS/c1-27-20-5-3-4-18(12-20)15-26(14-17-6-9-21(28-2)10-7-17)19-8-11-22-23(13-19)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
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 228n/a 3.71E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102925
PNG
(US8541596, 56)
Show SMILES COc1cc(CN(Cc2ccc(SC)cc2)c2ccc3nc[nH]c3c2)cc(OC)c1
Show InChI InChI=1S/C24H25N3O2S/c1-28-20-10-18(11-21(13-20)29-2)15-27(14-17-4-7-22(30-3)8-5-17)19-6-9-23-24(12-19)26-16-25-23/h4-13,16H,14-15H2,1-3H3,(H,25,26)
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 271n/a 4.12E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102922
PNG
(US8541596, 52)
Show SMILES CSc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C23H23N3S/c1-17-3-5-18(6-4-17)14-26(15-19-7-10-21(27-2)11-8-19)20-9-12-22-23(13-20)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
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 305n/a 3.06E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102921
PNG
(US8541596, 51)
Show SMILES CSc1ccc(CN(Cc2ccccc2)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C22H21N3S/c1-26-20-10-7-18(8-11-20)15-25(14-17-5-3-2-4-6-17)19-9-12-21-22(13-19)24-16-23-21/h2-13,16H,14-15H2,1H3,(H,23,24)
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US Patent
 313n/a 3.16E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102919
PNG
(US8541596, 20)
Show SMILES Cc1ccc(CN(Cc2ccc(C)cc2)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C23H23N3/c1-17-3-7-19(8-4-17)14-26(15-20-9-5-18(2)6-10-20)21-11-12-22-23(13-21)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
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 346n/a 3.99E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102920
PNG
(US8541596, 23)
Show SMILES COc1cccc(CN(Cc2cccc(OC)c2)c2ccc3nc[nH]c3c2)c1
Show InChI InChI=1S/C23H23N3O2/c1-27-20-7-3-5-17(11-20)14-26(15-18-6-4-8-21(12-18)28-2)19-9-10-22-23(13-19)25-16-24-22/h3-13,16H,14-15H2,1-2H3,(H,24,25)
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KEGG

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US Patent
 473n/a 3.65E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102926
PNG
(US8541596, 57)
Show SMILES COc1cc(F)c(CN(Cc2ccc(SC)cc2)c2ccc3nc[nH]c3c2)cc1OC
Show InChI InChI=1S/C24H24FN3O2S/c1-29-23-10-17(20(25)12-24(23)30-2)14-28(13-16-4-7-19(31-3)8-5-16)18-6-9-21-22(11-18)27-15-26-21/h4-12,15H,13-14H2,1-3H3,(H,26,27)
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 519n/a 3.41E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102927
PNG
(US8541596, 80)
Show SMILES CSc1ccc(CN(Cc2ccc(cc2)N(C)C)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C24H26N4S/c1-27(2)20-8-4-18(5-9-20)15-28(16-19-6-11-22(29-3)12-7-19)21-10-13-23-24(14-21)26-17-25-23/h4-14,17H,15-16H2,1-3H3,(H,25,26)
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 1.08E+3n/a 4.08E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
Glutaminyl-peptide cyclotransferase


(Homo sapiens (Human))		BDBM102928
PNG
(US8541596, 87)
Show SMILES COc1ccc(CN(Cc2ccc3ccccc3c2)c2ccc3nc[nH]c3c2)cc1
Show InChI InChI=1S/C26H23N3O/c1-30-24-11-7-19(8-12-24)16-29(23-10-13-25-26(15-23)28-18-27-25)17-20-6-9-21-4-2-3-5-22(21)14-20/h2-15,18H,16-17H2,1H3,(H,27,28)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometric assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically...

US Patent US8541596 (2013)


BindingDB Entry DOI: 10.7270/Q2FT8JPJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%