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Compile Data Set for Download or QSAR

Found 48 hits of ph data 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))
BDBM7918
PNG
(1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)pro...)
Show SMILES COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC
Show InChI InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)
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95 -40.1n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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262 -37.6n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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607 -35.5n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7890
PNG
(1-alkylimidazole deriv. 3 | 3-[3-(1H-imidazol-1-yl...)
Show SMILES Oc1c[nH]c(=S)n1CCCn1ccnc1
Show InChI InChI=1S/C9H12N4OS/c14-8-6-11-9(15)13(8)4-1-3-12-5-2-10-7-12/h2,5-7,14H,1,3-4H2,(H,11,15)
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700 -35.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7889
PNG
(1-(4-chlorophenyl)-3-[3-(1H-imidazol-1-yl)propyl]t...)
Show SMILES Clc1ccc(NC(=S)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H15ClN4S/c14-11-2-4-12(5-3-11)17-13(19)16-6-1-8-18-9-7-15-10-18/h2-5,7,9-10H,1,6,8H2,(H2,16,17,19)
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1.24E+3 -34.3n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7949
PNG
(Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...)
Show SMILES CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
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1.70E+3 -32.9n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7918
PNG
(1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)pro...)
Show SMILES COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC
Show InChI InChI=1S/C15H20N4O2S/c1-20-13-5-4-12(10-14(13)21-2)18-15(22)17-6-3-8-19-9-7-16-11-19/h4-5,7,9-11H,3,6,8H2,1-2H3,(H2,17,18,22)
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1.82E+3 -32.8n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7900
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(4-methylphenyl)t...)
Show SMILES Cc1ccc(NC(=S)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C14H18N4S/c1-12-3-5-13(6-4-12)17-14(19)16-7-2-9-18-10-8-15-11-18/h3-6,8,10-11H,2,7,9H2,1H3,(H2,16,17,19)
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2.14E+3 -32.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7901
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(4-ethylphenyl)th...)
Show SMILES CCc1ccc(NC(=S)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C15H20N4S/c1-2-13-4-6-14(7-5-13)18-15(20)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,17,18,20)
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2.78E+3 -32.2n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7899
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-naphthalen-1-ylth...)
Show SMILES S=C(NCCCn1ccnc1)Nc1cccc2ccccc12
Show InChI InChI=1S/C17H18N4S/c22-17(19-9-4-11-21-12-10-18-13-21)20-16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,10,12-13H,4,9,11H2,(H2,19,20,22)
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2.79E+3 -32.2n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7895
PNG
(1-(Bicyclo[2.2.1]hept-5-en-2-yl)-3-(3-(1H-imidazol...)
Show SMILES S=C(NCCCn1ccnc1)NC1CC2CC1C=C2
Show InChI InChI=1S/C14H20N4S/c19-14(16-4-1-6-18-7-5-15-10-18)17-13-9-11-2-3-12(13)8-11/h2-3,5,7,10-13H,1,4,6,8-9H2,(H2,16,17,19)
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3.66E+3 -31.6n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7898
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-phenylthiourea | ...)
Show SMILES S=C(NCCCn1ccnc1)Nc1ccccc1
Show InChI InChI=1S/C13H16N4S/c18-13(16-12-5-2-1-3-6-12)15-7-4-9-17-10-8-14-11-17/h1-3,5-6,8,10-11H,4,7,9H2,(H2,15,16,18)
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4.48E+3 -31.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7892
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-butylthiourea | 1...)
Show SMILES CCCCNC(=S)NCCCn1ccnc1
Show InChI InChI=1S/C11H20N4S/c1-2-3-5-13-11(16)14-6-4-8-15-9-7-12-10-15/h7,9-10H,2-6,8H2,1H3,(H2,13,14,16)
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4.65E+3 -30.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7896
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-cyclohexylthioure...)
Show SMILES S=C(NCCCn1ccnc1)NC1CCCCC1
Show InChI InChI=1S/C13H22N4S/c18-13(16-12-5-2-1-3-6-12)15-7-4-9-17-10-8-14-11-17/h8,10-12H,1-7,9H2,(H2,15,16,18)
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4.70E+3 -30.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7897
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-benzylthiourea | ...)
Show SMILES S=C(NCCCn1ccnc1)NCc1ccccc1
Show InChI InChI=1S/C14H18N4S/c19-14(17-11-13-5-2-1-3-6-13)16-7-4-9-18-10-8-15-12-18/h1-3,5-6,8,10,12H,4,7,9,11H2,(H2,16,17,19)
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5.67E+3 -30.4n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7949
PNG
(Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...)
Show SMILES CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
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5.75E+3 -29.9n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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6.40E+3 -30.1n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7887
PNG
(1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1...)
Show SMILES C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
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7.00E+3 -29.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7888
PNG
(1-[3-(4-methylphenoxy)propyl]-1H-imidazole | 1-alk...)
Show SMILES Cc1ccc(OCCCn2ccnc2)cc1
Show InChI InChI=1S/C13H16N2O/c1-12-3-5-13(6-4-12)16-10-2-8-15-9-7-14-11-15/h3-7,9,11H,2,8,10H2,1H3
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7.70E+3 -29.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7970
PNG
(N-diethylcysteamine | diethyl(2-sulfanylethyl)amin...)
Show SMILES CCN(CC)CCS
Show InChI InChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
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1.09E+4 -28.8n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7894
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-isopropylthiourea...)
Show SMILES CC(C)NC(=S)NCCCn1ccnc1
Show InChI InChI=1S/C10H18N4S/c1-9(2)13-10(15)12-4-3-6-14-7-5-11-8-14/h5,7-9H,3-4,6H2,1-2H3,(H2,12,13,15)
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1.13E+4 -28.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7891
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-methylthiourea | ...)
Show SMILES CNC(=S)NCCCn1ccnc1
Show InChI InChI=1S/C8H14N4S/c1-9-8(13)11-3-2-5-12-6-4-10-7-12/h4,6-7H,2-3,5H2,1H3,(H2,9,11,13)
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1.30E+4 -28.4n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7893
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-tert-butylthioure...)
Show SMILES CC(C)(C)NC(=S)NCCCn1ccnc1
Show InChI InChI=1S/C11H20N4S/c1-11(2,3)14-10(16)13-5-4-7-15-8-6-12-9-15/h6,8-9H,4-5,7H2,1-3H3,(H2,13,14,16)
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1.47E+4 -28.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7949
PNG
(Imidazole C-4(5) deriv. 1 | N-[2-(1H-Imidazol-4-yl...)
Show SMILES CC(=O)NCCc1cnc[nH]1
Show InChI InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
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1.70E+4 -27.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7884
PNG
(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Show SMILES Cn1ccnc1
Show InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
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2.30E+4 -26.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7969
PNG
(N-dimethylcysteamine | dimethyl(2-sulfanylethyl)am...)
Show SMILES CN(C)CCS
Show InChI InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
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2.90E+4 -26.3n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7884
PNG
(1-methyl-1H-imidazole | US9138393, 1-Methylimidazo...)
Show SMILES Cn1ccnc1
Show InChI InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
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3.00E+4 -26.2n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7968
PNG
(2-aminoethane-1-thiol | Cysteamine)
Show InChI InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
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4.20E+4 -25.4n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7942
PNG
(1-Subsituted 1H-imidazole, 8 | 1-Vinylimidazole | ...)
Show SMILES C=Cn1ccnc1
Show InChI InChI=1S/C5H6N2/c1-2-7-4-3-6-5-7/h2-5H,1H2
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4.90E+4 -25.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7882
PNG
(1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...)
Show SMILES c1c[nH]cn1
Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
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1.00E+5 -23.2n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7944
PNG
(1-(1H-imidazol-1-yl)ethan-1-one | Imidazole N-1 de...)
Show SMILES CC(=O)n1ccnc1
Show InChI InChI=1S/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
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1.07E+5 -23.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7939
PNG
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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1.38E+5 -22.4n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7882
PNG
(1H-imidazole | CHEMBL540 | Imidazole (Im) | US9138...)
Show SMILES c1c[nH]cn1
Show InChI InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
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1.60E+5 -22.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7885
PNG
(1-benzyl-2-methyl-1H-imidazole | US9138393, 1-benz...)
Show SMILES Cc1nccn1Cc1ccccc1
Show InChI InChI=1S/C11H12N2/c1-10-12-7-8-13(10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
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1.65E+5 -22.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7945
PNG
(1-(trimethylsilyl)-1H-imidazole | Imidazole N-1 de...)
Show SMILES C[Si](C)(C)n1ccnc1
Show InChI InChI=1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
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1.67E+5 -21.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7946
PNG
(1-benzoyl-1H-imidazole | Imidazole N-1 deriv. 7 | ...)
Show SMILES O=C(c1ccccc1)n1ccnc1
Show InChI InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H
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1.74E+5 -21.8n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7947
PNG
(1-(2-Oxo-2-phenylethyl)-imidazole | 2-(1H-imidazol...)
Show SMILES O=C(Cn1ccnc1)c1ccccc1
Show InChI InChI=1S/C11H10N2O/c14-11(8-13-7-6-12-9-13)10-4-2-1-3-5-10/h1-7,9H,8H2
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1.84E+5 -21.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7939
PNG
(1H-1,3-benzodiazole | Benzimidazole | Benzimidazol...)
Show SMILES c1nc2ccccc2[nH]1
Show InChI InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
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1.92E+5 -21.6n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7948
PNG
(1-(3-Aminopropyl)-imidazole | 3-(1H-imidazol-1-yl)...)
Show SMILES NCCCn1ccnc1
Show InChI InChI=1S/C6H11N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4,7H2
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4.10E+5 -19.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7950
PNG
((2S)-2-amino-3-(1H-imidazol-4-yl)propanamide | Imi...)
Show SMILES N[C@@H](Cc1cnc[nH]1)C(N)=O
Show InChI InChI=1S/C6H10N4O/c7-5(6(8)11)1-4-2-9-3-10-4/h2-3,5H,1,7H2,(H2,8,11)(H,9,10)/t5-/m0/s1
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5.60E+5 -18.9n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7951
PNG
(2-[2-amino-3-(1H-imidazol-4-yl)propanamido]-3-(1H-...)
Show SMILES NC(Cc1cnc[nH]1)C(=O)NC(Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C17H19N5O3/c18-13(6-11-8-19-9-21-11)16(23)22-15(17(24)25)5-10-7-20-14-4-2-1-3-12(10)14/h1-4,7-9,13,15,20H,5-6,18H2,(H,19,21)(H,22,23)(H,24,25)
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6.00E+5 -18.7n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7952
PNG
((2S)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol | Imi...)
Show SMILES N[C@H](CO)Cc1cnc[nH]1
Show InChI InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
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1.53E+6 -16.3n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Biol Chem 278: 49773-9 (2003)


Article DOI: 10.1074/jbc.M309077200
BindingDB Entry DOI: 10.7270/Q2513WDS
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM92451
PNG
(Cacodylate)
Show SMILES C[As](C)([O-])=O
Show InChI InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
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1.82E+6 -15.6n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7971
PNG
(2-sulfanylethan-1-ol | Mercaptoethanol)
Show InChI InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
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2.58E+6 -15.0n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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Article
PubMed
4.60E+6 -13.6n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


J Med Chem 49: 664-77 (2006)


Article DOI: 10.1021/jm050756e
BindingDB Entry DOI: 10.7270/Q28S4N46
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM92451
PNG
(Cacodylate)
Show SMILES C[As](C)([O-])=O
Show InChI InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
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6.70E+6 -12.4n/an/an/an/an/a8.025



Academia Sinica



Assay Description
The testing for the inhibition activities of imidazole derivatives and cacodylate on gQC and sQC was evaluated at 25 C using the fluorescent substrat...


J Biol Chem 286: 12439-49 (2011)


Article DOI: 10.1074/jbc.M110.208595
BindingDB Entry DOI: 10.7270/Q2CN72HS
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7973
PNG
(2-aminoethan-1-ol | CHEMBL104943 | ethanolamine)
Show InChI InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
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1.93E+7 -9.95n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair
Glutaminyl Cyclase


(Mus musculus (mouse))
BDBM7972
PNG
(CHEMBL816 | ethane-1,2-diamine | ethylenediamine)
Show InChI InChI=1S/C2H8N2/c3-1-2-4/h1-4H2
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2.20E+7 -9.62n/an/an/an/an/a8.030



Probiodrug AG



Assay Description
QC activity was evaluated fluorometrically using Gln-AMC as substrate, and pyroglutamyl peptidase as the auxiliary enzyme. After conversion of Gln-AM...


Biochemistry 44: 13415-24 (2005)


Article DOI: 10.1021/bi051142e
BindingDB Entry DOI: 10.7270/Q21834QW
More data for this
Ligand-Target Pair