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Compile Data Set for Download or QSAR

Found 869 hits Enz. Inhib. hit(s) with Target = 'Glutaminyl Cyclase'   
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 Cyclase


(Homo sapiens (Human))
BDBM259915
PNG
(US9512115, 19)
Show SMILES Fc1c(F)c(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H16F4N4O2/c21-17-12(2-4-15(18(17)22)27-6-5-20(23,24)9-27)16-8-30-19(29)28(16)11-1-3-13-14(7-11)26-10-25-13/h1-4,7,10,16H,5-6,8-9H2,(H,25,26)/t16-/s2
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2.49 -49.9n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259915
PNG
(US9512115, 19)
Show SMILES Fc1c(F)c(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H16F4N4O2/c21-17-12(2-4-15(18(17)22)27-6-5-20(23,24)9-27)16-8-30-19(29)28(16)11-1-3-13-14(7-11)26-10-25-13/h1-4,7,10,16H,5-6,8-9H2,(H,25,26)/t16-/s2
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2.53 -49.9n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
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


J Med Chem 52: 7069-80 (2009)


Article DOI: 10.1021/jm900969p
BindingDB Entry DOI: 10.7270/Q2Q2409C
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259914
PNG
(US9512115, 18)
Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H17F3N4O2/c21-15-7-12(26-6-5-20(22,23)10-26)1-3-14(15)18-9-29-19(28)27(18)13-2-4-16-17(8-13)25-11-24-16/h1-4,7-8,11,18H,5-6,9-10H2,(H,24,25)/t18-/s2
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2.69 -49.7n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259898
PNG
(US9512115, 1)
Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C20H17F4N3O3/c1-20(23,24)6-7-29-16-5-3-12(17(21)18(16)22)15-9-30-19(28)27(15)11-2-4-13-14(8-11)26-10-25-13/h2-5,8,10,15H,6-7,9H2,1H3,(H,25,26)/t15-/s2
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2.90 -49.5n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259914
PNG
(US9512115, 18)
Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H17F3N4O2/c21-15-7-12(26-6-5-20(22,23)10-26)1-3-14(15)18-9-29-19(28)27(18)13-2-4-16-17(8-13)25-11-24-16/h1-4,7-8,11,18H,5-6,9-10H2,(H,24,25)/t18-/s2
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2.92 -49.5n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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3.24 -49.3 3.08n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)


BindingDB Entry DOI: 10.7270/Q2B856V2
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259907
PNG
(US9512115, 11)
Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C19H15F4N3O3/c20-16(21)5-6-28-15-4-2-11(17(22)18(15)23)14-8-29-19(27)26(14)10-1-3-12-13(7-10)25-9-24-12/h1-4,7,9,14,16H,5-6,8H2,(H,24,25)/t14-/s2
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3.34 -49.2n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259898
PNG
(US9512115, 1)
Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C20H17F4N3O3/c1-20(23,24)6-7-29-16-5-3-12(17(21)18(16)22)15-9-30-19(28)27(15)11-2-4-13-14(8-11)26-10-25-13/h2-5,8,10,15H,6-7,9H2,1H3,(H,25,26)/t15-/s2
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3.58 -49.0n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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3.80 -48.9 234n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)


BindingDB Entry DOI: 10.7270/Q2B856V2
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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4.13 -48.7 48n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)


BindingDB Entry DOI: 10.7270/Q2B856V2
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 |t:2|
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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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)


BindingDB Entry DOI: 10.7270/Q2PK0DTD
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259916
PNG
(US9512115, 20)
Show SMILES Fc1cc(cc(F)c1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H16F4N4O2/c21-13-5-12(27-4-3-20(23,24)9-27)6-14(22)18(13)17-8-30-19(29)28(17)11-1-2-15-16(7-11)26-10-25-15/h1-2,5-7,10,17H,3-4,8-9H2,(H,25,26)/t17-/s2
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4.53 -48.4n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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 |c:2|
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)


BindingDB Entry DOI: 10.7270/Q2PK0DTD
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259900
PNG
(US9512115, 3)
Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H18F3N3O3/c1-20(22,23)6-7-28-13-3-4-14(15(21)9-13)18-10-29-19(27)26(18)12-2-5-16-17(8-12)25-11-24-16/h2-5,8-9,11,18H,6-7,10H2,1H3,(H,24,25)/t18-/s2
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5.02 -48.2n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259900
PNG
(US9512115, 3)
Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H18F3N3O3/c1-20(22,23)6-7-28-13-3-4-14(15(21)9-13)18-10-29-19(27)26(18)12-2-5-16-17(8-12)25-11-24-16/h2-5,8-9,11,18H,6-7,10H2,1H3,(H,24,25)/t18-/s2
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5.03 -48.2n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259919
PNG
(US9512115, 23)
Show SMILES FC1(F)CCN(C1)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(c1)C#N |r|
Show InChI InChI=1/C21H17F2N5O2/c22-21(23)5-6-27(11-21)14-1-3-16(13(7-14)9-24)19-10-30-20(29)28(19)15-2-4-17-18(8-15)26-12-25-17/h1-4,7-8,12,19H,5-6,10-11H2,(H,25,26)/t19-/s2
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5.15 -48.1n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259916
PNG
(US9512115, 20)
Show SMILES Fc1cc(cc(F)c1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r|
Show InChI InChI=1/C20H16F4N4O2/c21-13-5-12(27-4-3-20(23,24)9-27)6-14(22)18(13)17-8-30-19(29)28(17)11-1-2-15-16(7-11)26-10-25-15/h1-2,5-7,10,17H,3-4,8-9H2,(H,25,26)/t17-/s2
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5.29 -48.0n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259907
PNG
(US9512115, 11)
Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C19H15F4N3O3/c20-16(21)5-6-28-15-4-2-11(17(22)18(15)23)14-8-29-19(27)26(14)10-1-3-12-13(7-10)25-9-24-12/h1-4,7,9,14,16H,5-6,8H2,(H,24,25)/t14-/s2
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5.54 -47.9n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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US Patent
6n/an/an/an/an/an/an/an/a



PROBIODRUG AG

US Patent




US Patent US9656991 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46GV
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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US Patent
6.07 -47.7 69.7n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)


BindingDB Entry DOI: 10.7270/Q2B856V2
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259903
PNG
(US9512115, 6)
Show SMILES CC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C19H15F4N3O3/c1-19(22,23)8-29-15-5-3-11(16(20)17(15)21)14-7-28-18(27)26(14)10-2-4-12-13(6-10)25-9-24-12/h2-6,9,14H,7-8H2,1H3,(H,24,25)/t14-/s2
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6.21 -47.6n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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PubMed
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


J Med Chem 52: 7069-80 (2009)


Article DOI: 10.1021/jm900969p
BindingDB Entry DOI: 10.7270/Q2Q2409C
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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6.49 -47.5 24n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US8962860 (2015)


BindingDB Entry DOI: 10.7270/Q2B856V2
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259899
PNG
(US9512115, 2)
Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C19H16F3N3O3/c20-14-8-12(27-6-5-18(21)22)2-3-13(14)17-9-28-19(26)25(17)11-1-4-15-16(7-11)24-10-23-15/h1-4,7-8,10,17-18H,5-6,9H2,(H,23,24)/t17-/s2
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6.54 -47.5n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259913
PNG
(US9512115, 17)
Show SMILES CC(F)(F)COc1cc(F)c([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C19H15F4N3O3/c1-19(22,23)8-29-11-5-12(20)17(13(21)6-11)16-7-28-18(27)26(16)10-2-3-14-15(4-10)25-9-24-14/h2-6,9,16H,7-8H2,1H3,(H,24,25)/t16-/s2
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6.66 -47.4n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259903
PNG
(US9512115, 6)
Show SMILES CC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r|
Show InChI InChI=1/C19H15F4N3O3/c1-19(22,23)8-29-15-5-3-11(16(20)17(15)21)14-7-28-18(27)26(14)10-2-4-12-13(6-10)25-9-24-12/h2-6,9,14H,7-8H2,1H3,(H,24,25)/t14-/s2
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6.71 -47.4n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259919
PNG
(US9512115, 23)
Show SMILES FC1(F)CCN(C1)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(c1)C#N |r|
Show InChI InChI=1/C21H17F2N5O2/c22-21(23)5-6-27(11-21)14-1-3-16(13(7-14)9-24)19-10-30-20(29)28(19)15-2-4-17-18(8-15)26-12-25-17/h1-4,7-8,12,19H,5-6,10-11H2,(H,25,26)/t19-/s2
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7.89 -47.0n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259913
PNG
(US9512115, 17)
Show SMILES CC(F)(F)COc1cc(F)c([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C19H15F4N3O3/c1-19(22,23)8-29-11-5-12(20)17(13(21)6-11)16-7-28-18(27)26(16)10-2-3-14-15(4-10)25-9-24-14/h2-6,9,16H,7-8H2,1H3,(H,24,25)/t16-/s2
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8.29 -46.9n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259899
PNG
(US9512115, 2)
Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C19H16F3N3O3/c20-14-8-12(27-6-5-18(21)22)2-3-13(14)17-9-28-19(26)25(17)11-1-4-15-16(7-11)24-10-23-15/h1-4,7-8,10,17-18H,5-6,9H2,(H,23,24)/t17-/s2
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8.5 -46.8n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259906
PNG
(US9512115, 10)
Show SMILES CC(F)(F)CCOc1ccc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C20H18F3N3O3/c1-20(22,23)6-7-28-18-5-2-12(8-14(18)21)17-10-29-19(27)26(17)13-3-4-15-16(9-13)25-11-24-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,24,25)/t17-/s2
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8.95 -46.7n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259906
PNG
(US9512115, 10)
Show SMILES CC(F)(F)CCOc1ccc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C20H18F3N3O3/c1-20(22,23)6-7-28-18-5-2-12(8-14(18)21)17-10-29-19(27)26(17)13-3-4-15-16(9-13)25-11-24-15/h2-5,8-9,11,17H,6-7,10H2,1H3,(H,24,25)/t17-/s2
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8.99 -46.7n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259921
PNG
(US9512115, 25)
Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)C1CCC(F)(F)CC1 |r|
Show InChI InChI=1/C22H20F3N3O2/c23-17-9-14(13-5-7-22(24,25)8-6-13)1-3-16(17)20-11-30-21(29)28(20)15-2-4-18-19(10-15)27-12-26-18/h1-4,9-10,12-13,20H,5-8,11H2,(H,26,27)/t20-/s2
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9.24 -46.6n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259904
PNG
(US9512115, 7)
Show SMILES CC(C)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H19F2N3O3/c1-20(2,22)10-28-13-4-5-14(15(21)8-13)18-9-27-19(26)25(18)12-3-6-16-17(7-12)24-11-23-16/h3-8,11,18H,9-10H2,1-2H3,(H,23,24)/t18-/s2
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9.83 -46.5n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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10 -46.4 80n/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 substrates. QC activity was analyzed spectrophotometrically using a ...


US Patent US9181233 (2015)


BindingDB Entry DOI: 10.7270/Q2S46QQH
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259917
PNG
(US9512115, 21)
Show SMILES Fc1cc(ccc1N1CCC(F)(F)C1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C20H17F3N4O2/c21-14-7-12(1-4-17(14)26-6-5-20(22,23)10-26)18-9-29-19(28)27(18)13-2-3-15-16(8-13)25-11-24-15/h1-4,7-8,11,18H,5-6,9-10H2,(H,24,25)/t18-/s2
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10.4 -46.3n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259904
PNG
(US9512115, 7)
Show SMILES CC(C)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H19F2N3O3/c1-20(2,22)10-28-13-4-5-14(15(21)8-13)18-9-27-19(26)25(18)12-3-6-16-17(7-12)24-11-23-16/h3-8,11,18H,9-10H2,1-2H3,(H,23,24)/t18-/s2
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10.9 -46.2n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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/a8.0n/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)


BindingDB Entry DOI: 10.7270/Q2R78CW3
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259921
PNG
(US9512115, 25)
Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)C1CCC(F)(F)CC1 |r|
Show InChI InChI=1/C22H20F3N3O2/c23-17-9-14(13-5-7-22(24,25)8-6-13)1-3-16(17)20-11-30-21(29)28(20)15-2-4-18-19(10-15)27-12-26-18/h1-4,9-10,12-13,20H,5-8,11H2,(H,26,27)/t20-/s2
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11.3 -46.1n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259920
PNG
(US9512115, 24)
Show SMILES FC1(F)CCN(C1)c1ccc(cc1C#N)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C21H17F2N5O2/c22-21(23)5-6-27(11-21)18-4-1-13(7-14(18)9-24)19-10-30-20(29)28(19)15-2-3-16-17(8-15)26-12-25-16/h1-4,7-8,12,19H,5-6,10-11H2,(H,25,26)/t19-/s2
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11.4 -46.1n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
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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11.6 -46.1 92.3n/an/an/an/a8.030



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)


BindingDB Entry DOI: 10.7270/Q2V69HBJ
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)


BindingDB Entry DOI: 10.7270/Q2PK0DTD
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259926
PNG
(US9512115, 30)
Show SMILES CC(F)(F)CCc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H18F3N3O2/c1-20(22,23)7-6-12-2-4-14(15(21)8-12)18-10-28-19(27)26(18)13-3-5-16-17(9-13)25-11-24-16/h2-5,8-9,11,18H,6-7,10H2,1H3,(H,24,25)/t18-/s2
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12.0 -46.0n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259926
PNG
(US9512115, 30)
Show SMILES CC(F)(F)CCc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r|
Show InChI InChI=1/C20H18F3N3O2/c1-20(22,23)7-6-12-2-4-14(15(21)8-12)18-10-28-19(27)26(18)13-3-5-16-17(9-13)25-11-24-16/h2-5,8-9,11,18H,6-7,10H2,1H3,(H,24,25)/t18-/s2
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12.2 -45.9n/an/an/an/an/a8.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM98187
PNG
(US8486940, 89 | US9650362, 89)
Show SMILES O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1 |r|
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)


BindingDB Entry DOI: 10.7270/Q2251GSF
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM98187
PNG
(US8486940, 89 | US9650362, 89)
Show SMILES O=C1OC[C@@H](N1c1ccc2nc[nH]c2c1)c1ccc(cc1)N1CCN(CC1)c1ccccc1 |r|
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/an/an/an/an/an/an/an/a



PROBIODRUG AG

US Patent




US Patent US9650362 (2017)


BindingDB Entry DOI: 10.7270/Q2VD71H9
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259901
PNG
(US9512115, 4)
Show SMILES FC(F)CCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H17F2N3O3/c20-18(21)7-8-26-14-4-1-12(2-5-14)17-10-27-19(25)24(17)13-3-6-15-16(9-13)23-11-22-15/h1-6,9,11,17-18H,7-8,10H2,(H,22,23)/t17-/s2
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12.6 -45.8n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259909
PNG
(US9512115, 13)
Show SMILES FC(F)CCOc1c(F)cc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H15F4N3O3/c20-12-5-10(6-13(21)18(12)28-4-3-17(22)23)16-8-29-19(27)26(16)11-1-2-14-15(7-11)25-9-24-14/h1-2,5-7,9,16-17H,3-4,8H2,(H,24,25)/t16-/s2
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13.1 -45.7n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259908
PNG
(US9512115, 12)
Show SMILES FC(F)CCOc1ccc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C19H16F3N3O3/c20-13-7-11(1-4-17(13)27-6-5-18(21)22)16-9-28-19(26)25(16)12-2-3-14-15(8-12)24-10-23-14/h1-4,7-8,10,16,18H,5-6,9H2,(H,23,24)/t16-/s2
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13.1 -45.7n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (Human))
BDBM259922
PNG
(US9512115, 26)
Show SMILES Fc1cc(ccc1C1CCC(F)(F)CC1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r|
Show InChI InChI=1/C22H20F3N3O2/c23-17-9-14(1-3-16(17)13-5-7-22(24,25)8-6-13)20-11-30-21(29)28(20)15-2-4-18-19(10-15)27-12-26-18/h1-4,9-10,12-13,20H,5-8,11H2,(H,26,27)/t20-/s2
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13.6 -45.7n/an/an/an/an/a6.030



PROBIODRUG AG

US Patent


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


US Patent US9512115 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DG4
More data for this
Ligand-Target Pair
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