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Found 581 hits Enz. Inhib. hit(s) with Target = 'Glutaminyl Cyclase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 Cyclase


(Homo sapiens (human))
BDBM50299858
PNG
(1-(3,4-Dimethoxyphenyl)-N-(3-(5-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1OC)C1(CC1)C(=S)NCCCn1cncc1C
Show InChI InChI=1S/C19H25N3O2S/c1-14-12-20-13-22(14)10-4-9-21-18(25)19(7-8-19)15-5-6-16(23-2)17(11-15)24-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,25)
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2.60n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149365
PNG
(US8962860, 9)
Show SMILES COc1ccc(cc1O)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C17H14N4O4/c1-25-14-5-2-9(6-13(14)22)15-16(23)20-17(24)21(15)10-3-4-11-12(7-10)19-8-18-11/h2-8,15,22H,1H3,(H,18,19)(H,20,23,24)
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3.24n/a 3.08n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149363
PNG
(US8962860, 6)
Show SMILES CCCOc1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C19H18N4O3/c1-2-9-26-14-6-3-12(4-7-14)17-18(24)22-19(25)23(17)13-5-8-15-16(10-13)21-11-20-15/h3-8,10-11,17H,2,9H2,1H3,(H,20,21)(H,22,24,25)
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3.80n/a 234n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149366
PNG
(US8962860, 11)
Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1ccccc1)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C22H16N4O2/c27-21-20(16-8-6-15(7-9-16)14-4-2-1-3-5-14)26(22(28)25-21)17-10-11-18-19(12-17)24-13-23-18/h1-13,20H,(H,23,24)(H,25,27,28)
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4.13n/a 48n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM3737
PNG
(US8530670, 18)
Show SMILES COC1=CC(=O)N(C1c1ccc(cc1)N1CCS(=O)(=O)CC1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C22H22N4O4S/c1-30-20-13-21(27)26(17-6-7-18-19(12-17)24-14-23-18)22(20)15-2-4-16(5-3-15)25-8-10-31(28,29)11-9-25/h2-7,12-14,22H,8-11H2,1H3,(H,23,24)
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US Patent
4.40 -48.5 235n/an/an/an/an/a30



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrate. QC activity was analyzed spectrophotometrically using a ...


US Patent US8530670 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM3740
PNG
(US8530670, 27)
Show SMILES O=C1C=C(C(N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCOCC1)N1CCCCC1
Show InChI InChI=1S/C26H29N5O2/c32-25-17-24(30-10-2-1-3-11-30)26(31(25)21-8-9-22-23(16-21)28-18-27-22)19-4-6-20(7-5-19)29-12-14-33-15-13-29/h4-9,16-18,26H,1-3,10-15H2,(H,27,28)
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4.60 -48.4 46.1n/an/an/an/an/a30



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrate. QC activity was analyzed spectrophotometrically using a ...


US Patent US8530670 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149358
PNG
(US8962860, 1)
Show SMILES O=C1NC(=O)N(C1c1ccc2nsnc2c1)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H10N6O2S/c23-15-14(8-1-3-11-13(5-8)21-25-20-11)22(16(24)19-15)9-2-4-10-12(6-9)18-7-17-10/h1-7,14H,(H,17,18)(H,19,23,24)
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6.07n/a 69.7n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299853
PNG
(1-(3,4-Dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol...)
Show SMILES COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12-10-17-11-20(12)8-4-7-18-16(23)19-13-5-6-14(21-2)15(9-13)22-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,18,19,23)
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6.30n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149375
PNG
(US8962860, 42)
Show SMILES Fc1cc(Br)ccc1C1N(C(=O)NC1=S)c1ccc2nc[nH]c2c1
Show InChI InChI=1/C16H10BrFN4OS/c17-8-1-3-10(11(18)5-8)14-15(24)21-16(23)22(14)9-2-4-12-13(6-9)20-7-19-12/h1-7,14H,(H,19,20)(H,21,23,24)
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6.49n/a 24n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM190690
PNG
(US9181233, 67)
Show SMILES COc1ccc(SCc2nnc(s2)-c2ccc3[nH]cnc3c2)cc1OC
Show InChI InChI=1S/C18H16N4O2S2/c1-23-15-6-4-12(8-16(15)24-2)25-9-17-21-22-18(26-17)11-3-5-13-14(7-11)20-10-19-13/h3-8,10H,9H2,1-2H3,(H,19,20)
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10n/a 80n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US9181233 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM124974
PNG
(US8772508, 8)
Show SMILES Cc1cncn1CCCCN\C(NC1CCCCC1)=C/[N+]([O-])=O
Show InChI InChI=1S/C16H27N5O2/c1-14-11-17-13-20(14)10-6-5-9-18-16(12-21(22)23)19-15-7-3-2-4-8-15/h11,13,15H,2-10,12H2,1H3,(H,18,19)
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11n/a 580n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30C. QC activity was evaluated fluorometrically...


US Patent US8772508 (2014)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159348
PNG
(US9034907, 1)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C15H16N4OS/c1-11-9-16-10-18(11)7-4-8-19-14(20)12-5-2-3-6-13(12)17-15(19)21/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,21)
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11.6n/a 92.3n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM3742
PNG
(US8530670, 4)
Show SMILES O=C1CC(=O)N(C1c1ccc(cc1)N1CCOCC1)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C21H20N4O3/c26-19-12-20(27)25(16-5-6-17-18(11-16)23-13-22-17)21(19)14-1-3-15(4-2-14)24-7-9-28-10-8-24/h1-6,11,13,21H,7-10,12H2,(H,22,23)
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11.9 -46.0 73.1n/an/an/an/an/a30



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrate. QC activity was analyzed spectrophotometrically using a ...


US Patent US8530670 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM98187
PNG
(US8486940, 89)
Show SMILES O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C26H25N5O2/c32-26-31(22-10-11-23-24(16-22)28-18-27-23)25(17-33-26)19-6-8-21(9-7-19)30-14-12-29(13-15-30)20-4-2-1-3-5-20/h1-11,16,18,25H,12-15,17H2,(H,27,28)/t25-/m1/s1
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12.5n/a 160n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149371
PNG
(US8962860, 16)
Show SMILES O=C1NC(=O)N(C1c1ccc2OCCOc2c1)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C18H14N4O4/c23-17-16(10-1-4-14-15(7-10)26-6-5-25-14)22(18(24)21-17)11-2-3-12-13(8-11)20-9-19-12/h1-4,7-9,16H,5-6H2,(H,19,20)(H,21,23,24)
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13.6n/a 128n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM3914
PNG
(US8530670, 3)
Show SMILES Fc1cc(F)c(F)c(c1)C1N(C(=O)CC1=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C17H10F3N3O2/c18-8-3-10(16(20)11(19)4-8)17-14(24)6-15(25)23(17)9-1-2-12-13(5-9)22-7-21-12/h1-5,7,17H,6H2,(H,21,22)
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13.9 -45.6 72.5n/an/an/an/an/a30



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrate. QC activity was analyzed spectrophotometrically using a ...


US Patent US8530670 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299845
PNG
(3-[3-(5-Methyl-1H-imidazol-1-yl)propyl]-2-thioxo-2...)
Show SMILES Cc1cncn1CCCN1Cc2c(NC1=S)sc1CCCCc21
Show InChI InChI=1S/C17H22N4S2/c1-12-9-18-11-21(12)8-4-7-20-10-14-13-5-2-3-6-15(13)23-16(14)19-17(20)22/h9,11H,2-8,10H2,1H3,(H,19,22)
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17n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159350
PNG
(US9034907, 3)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc3CCCCc3c2c1=O
Show InChI InChI=1S/C17H20N4OS2/c1-11-9-18-10-20(11)7-4-8-21-16(22)14-12-5-2-3-6-13(12)24-15(14)19-17(21)23/h9-10H,2-8H2,1H3,(H,19,23)
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17.3n/a 113n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149376
PNG
(US8962860, 43)
Show SMILES Cc1ccc(C2N(C(=O)NC2=S)c2ccc3[nH]cnc3c2)c(F)c1F
Show InChI InChI=1/C17H12F2N4OS/c1-8-2-4-10(14(19)13(8)18)15-16(25)22-17(24)23(15)9-3-5-11-12(6-9)21-7-20-11/h2-7,15H,1H3,(H,20,21)(H,22,24,25)
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17.7n/a 326n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299844
PNG
(2,3-Dihydro-3-(3-(5-methyl-1H-imidazol-1-yl)propyl...)
Show SMILES Cc1cncn1CCCN1Cc2ccccc2NC1=S
Show InChI InChI=1S/C15H18N4S/c1-12-9-16-11-19(12)8-4-7-18-10-13-5-2-3-6-14(13)17-15(18)20/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,17,20)
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18n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM101438
PNG
(US8530670, 15 | US8530670, 2)
Show SMILES Fc1cccc(C2N(C(=O)CC2=O)c2ccc3nc[nH]c3c2)c1F
Show InChI InChI=1S/C17H11F2N3O2/c18-11-3-1-2-10(16(11)19)17-14(23)7-15(24)22(17)9-4-5-12-13(6-9)21-8-20-12/h1-6,8,17H,7H2,(H,20,21)
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18.8 -44.8 85.8n/an/an/an/an/a30



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrate. QC activity was analyzed spectrophotometrically using a ...


US Patent US8530670 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159360
PNG
(US9034907, 13)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O
Show InChI InChI=1S/C20H20N4OS2/c1-14-12-21-13-23(14)8-5-9-24-19(25)17-11-16(27-18(17)22-20(24)26)10-15-6-3-2-4-7-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,22,26)
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US Patent
18.9n/a 96.2n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299847
PNG
(6-Benzyl-2,3-dihydro-3-(3-(5-methyl-1H-imidazol-1-...)
Show SMILES Cc1cncn1CCCN1Cc2cc(Cc3ccccc3)sc2NC1=S
Show InChI InChI=1S/C20H22N4S2/c1-15-12-21-14-24(15)9-5-8-23-13-17-11-18(26-19(17)22-20(23)25)10-16-6-3-2-4-7-16/h2-4,6-7,11-12,14H,5,8-10,13H2,1H3,(H,22,25)
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20n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159354
PNG
(US9034907, 7)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc(cc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H18N4OS2/c1-13-11-20-12-22(13)8-5-9-23-18(24)15-10-16(14-6-3-2-4-7-14)26-17(15)21-19(23)25/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,25)
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US Patent
21.1n/a 124n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149369
PNG
(US8962860, 14)
Show SMILES Clc1ccccc1C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H11ClN4O2/c17-11-4-2-1-3-10(11)14-15(22)20-16(23)21(14)9-5-6-12-13(7-9)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
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US Patent
21.7n/a 173n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159355
PNG
(US9034907, 8)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc3CCCc3c2c1=O
Show InChI InChI=1S/C16H18N4OS2/c1-10-8-17-9-19(10)6-3-7-20-15(21)13-11-4-2-5-12(11)23-14(13)18-16(20)22/h8-9H,2-7H2,1H3,(H,18,22)
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US Patent
21.7n/a 207n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50439196
PNG
(CHEMBL2418779)
Show SMILES COc1ccc(SCc2nnc(s2)-c2ccc3nc[nH]c3c2)cc1OC
Show InChI InChI=1S/C18H16N4O2S2/c1-23-15-6-4-12(8-16(15)24-2)25-9-17-21-22-18(26-17)11-3-5-13-14(7-11)20-10-19-13/h3-8,10H,9H2,1-2H3,(H,19,20)
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23n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Escherichia coli DH5alpha using H-Gln-AMC as substrate by fluorometric analysis in presence of py...


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159352
PNG
(US9034907, 5)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc(C)c(C)c2c1=O
Show InChI InChI=1S/C15H18N4OS2/c1-9-7-16-8-18(9)5-4-6-19-14(20)12-10(2)11(3)22-13(12)17-15(19)21/h7-8H,4-6H2,1-3H3,(H,17,21)
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US Patent
24.1n/a 122n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159351
PNG
(US9034907, 4)
Show SMILES CCc1cc2c([nH]c(=S)n(CCCn3cncc3C)c2=O)s1
Show InChI InChI=1S/C15H18N4OS2/c1-3-11-7-12-13(22-11)17-15(21)19(14(12)20)6-4-5-18-9-16-8-10(18)2/h7-9H,3-6H2,1-2H3,(H,17,21)
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25n/a 115n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159357
PNG
(US9034907, 10)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc3CCCCCc3c2c1=O
Show InChI InChI=1S/C18H22N4OS2/c1-12-10-19-11-21(12)8-5-9-22-17(23)15-13-6-3-2-4-7-14(13)25-16(15)20-18(22)24/h10-11H,2-9H2,1H3,(H,20,24)
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25.1n/a 132n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159358
PNG
(US9034907, 11)
Show SMILES Cc1cncn1CCCn1c(=S)[nH]c2sc3CCCCCCc3c2c1=O
Show InChI InChI=1S/C19H24N4OS2/c1-13-11-20-12-22(13)9-6-10-23-18(24)16-14-7-4-2-3-5-8-15(14)26-17(16)21-19(23)25/h11-12H,2-10H2,1H3,(H,21,25)
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28.5n/a 170n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159353
PNG
(US9034907, 6)
Show SMILES CCc1c(C)sc2[nH]c(=S)n(CCCn3cncc3C)c(=O)c12
Show InChI InChI=1S/C16H20N4OS2/c1-4-12-11(3)23-14-13(12)15(21)20(16(22)18-14)7-5-6-19-9-17-8-10(19)2/h8-9H,4-7H2,1-3H3,(H,18,22)
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30.8n/a 162n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM98186
PNG
(US8486940, 73)
Show SMILES CCCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C19H19N3O3/c1-2-9-24-15-6-3-13(4-7-15)18-11-25-19(23)22(18)14-5-8-16-17(10-14)21-12-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,21)/t18-/m1/s1
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US Patent
33.6n/a 170n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM50299866
PNG
(CHEMBL578153 | N-(1-(3-(5-Methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cncn1CCCN=C(C[N+]([O-])=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N5O2/c1-12-9-20-11-23(12)8-2-7-21-15(10-24(25)26)22-14-5-3-13(4-6-14)16(17,18)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,21,22)
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34n/a 430n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30C. QC activity was evaluated fluorometrically...


US Patent US8772508 (2014)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299866
PNG
(CHEMBL578153 | N-(1-(3-(5-Methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cncn1CCCN=C(C[N+]([O-])=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H18F3N5O2/c1-12-9-20-11-23(12)8-2-7-21-15(10-24(25)26)22-14-5-3-13(4-6-14)16(17,18)19/h3-6,9,11H,2,7-8,10H2,1H3,(H,21,22)
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34n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149362
PNG
(US8962860, 5)
Show SMILES Fc1ccc(Br)c(c1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H10BrFN4O2/c17-11-3-1-8(18)5-10(11)14-15(23)21-16(24)22(14)9-2-4-12-13(6-9)20-7-19-12/h1-7,14H,(H,19,20)(H,21,23,24)
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34.8n/a 182n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149367
PNG
(US8962860, 12)
Show SMILES Clc1cccc(c1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H11ClN4O2/c17-10-3-1-2-9(6-10)14-15(22)20-16(23)21(14)11-4-5-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
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36n/a 523n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM98182
PNG
(US8486940, 14)
Show SMILES CCCOc1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1
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37.4n/a 238n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299846
PNG
(3-[3-(5-Methyl-1H-imidazol-1-yl)propyl]-2-thioxo-2...)
Show SMILES Cc1cncn1CCCN1Cc2c(NC1=S)sc1CCCCCCc21
Show InChI InChI=1S/C19H26N4S2/c1-14-11-20-13-23(14)10-6-9-22-12-16-15-7-4-2-3-5-8-17(15)25-18(16)21-19(22)24/h11,13H,2-10,12H2,1H3,(H,21,24)
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39n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM190685
PNG
(US9181233, 60)
Show SMILES COc1cccc(CCc2nnc(s2)-c2ccc3[nH]cnc3c2)c1
Show InChI InChI=1S/C18H16N4OS/c1-23-14-4-2-3-12(9-14)5-8-17-21-22-18(24-17)13-6-7-15-16(10-13)20-11-19-15/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,20)
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40n/a 450n/an/an/an/an/an/a



PROBIODRUG AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US9181233 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM98183
PNG
(US8486940, 43)
Show SMILES O=C1NC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H18N4O/c27-22-23-13-21(26(22)18-10-11-19-20(12-18)25-14-24-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-12,14,21H,13H2,(H,23,27)(H,24,25)/t21-/m1/s1
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40.8n/a 254n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Spectrophotometic Assay: This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spect...


US Patent US8486940 (2013)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM50299867
PNG
(CHEMBL565907 | N-(1-(3-(5-Methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cncn1CCCN=C(C[N+]([O-])=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C19H21N5O2/c1-15-12-20-14-23(15)11-5-10-21-19(13-24(25)26)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,22)
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41n/a 230n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30C. QC activity was evaluated fluorometrically...


US Patent US8772508 (2014)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299850
PNG
(1-(3,4-Dimethoxyphenyl)-N-(3-(4-methyl-1H-imidazol...)
Show SMILES COc1ccc(cc1OC)C1(CC1)C(=S)NCCCn1cnc(C)c1
Show InChI InChI=1S/C19H25N3O2S/c1-14-12-22(13-21-14)10-4-9-20-18(25)19(7-8-19)15-5-6-16(23-2)17(11-15)24-3/h5-6,11-13H,4,7-10H2,1-3H3,(H,20,25)
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41n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149359
PNG
(US8962860, 2)
Show SMILES O=C1NC(=O)N(C1c1ccccc1)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H12N4O2/c21-15-14(10-4-2-1-3-5-10)20(16(22)19-15)11-6-7-12-13(8-11)18-9-17-12/h1-9,14H,(H,17,18)(H,19,21,22)
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41.3n/a 741n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299867
PNG
(CHEMBL565907 | N-(1-(3-(5-Methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cncn1CCCN=C(C[N+]([O-])=O)Nc1cccc2ccccc12
Show InChI InChI=1S/C19H21N5O2/c1-15-12-20-14-23(15)11-5-10-21-19(13-24(25)26)22-18-9-4-7-16-6-2-3-8-17(16)18/h2-4,6-9,12,14H,5,10-11,13H2,1H3,(H,21,22)
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42n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149368
PNG
(US8962860, 13)
Show SMILES Clc1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H11ClN4O2/c17-10-3-1-9(2-4-10)14-15(22)20-16(23)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
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42.8n/a 298n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM159356
PNG
(US9034907, 9)
Show SMILES CC1CCc2c(C1)sc1[nH]c(=S)n(CCCn3cncc3C)c(=O)c21
Show InChI InChI=1/C18H22N4OS2/c1-11-4-5-13-14(8-11)25-16-15(13)17(23)22(18(24)20-16)7-3-6-21-10-19-9-12(21)2/h9-11H,3-8H2,1-2H3,(H,20,24)
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43.5n/a 282n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was eval...


US Patent US9034907 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299864
PNG
(CHEMBL574357 | N-(1-(3-(5-Methyl-1H-imidazol-1-yl)...)
Show SMILES Cc1cncn1CCCN=C(C[N+]([O-])=O)NC1CCCCC1
Show InChI InChI=1S/C15H25N5O2/c1-13-10-16-12-19(13)9-5-8-17-15(11-20(21)22)18-14-6-3-2-4-7-14/h10,12,14H,2-9,11H2,1H3,(H,17,18)
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44n/an/an/an/an/an/an/an/a



Probiodrug AG

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay


Citation and Details
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149373
PNG
(US8962860, 40)
Show SMILES Clc1ccc(cc1)C1N(C(=O)NC1=S)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C16H11ClN4OS/c17-10-3-1-9(2-4-10)14-15(23)20-16(22)21(14)11-5-6-12-13(7-11)19-8-18-12/h1-8,14H,(H,18,19)(H,20,22,23)
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45.9n/a 256n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM149360
PNG
(US8962860, 3)
Show SMILES Cc1ccc(O)c(c1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1
Show InChI InChI=1/C17H14N4O3/c1-9-2-5-14(22)11(6-9)15-16(23)20-17(24)21(15)10-3-4-12-13(7-10)19-8-18-12/h2-8,15,22H,1H3,(H,18,19)(H,20,23,24)
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48n/a 34.9n/an/an/an/an/an/a



Probiodrug AG

US Patent


Assay Description
This novel assay was used to determine the kinetic parameters for most of the QC substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)

More data for this
Ligand-Target Pair
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