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15 molecules are shown

Compile data set for download or QSAR
Wt: 304.4
BDBM7908
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Wt: 290.3
BDBM7909
Purchase
Wt: 304.3
BDBM7910
Wt: 290.3
BDBM7911
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Wt: 318.3
BDBM7913
Wt: 320.4
BDBM7914
Wt: 350.4
BDBM7917
Wt: 320.4
BDBM7918
Wt: 334.4
BDBM7920
Wt: 334.4
BDBM7921
Wt: 334.4
BDBM7922
Wt: 346.4
BDBM7923
Wt: 334.4
BDBM7924
Wt: 334.4
BDBM50299849
Wt: 334.4
BDBM50299853
Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 7908,7909,7910,7911,7913,7914,7917,7918,7920,7921,7922,7923,7924,50299849,50299853   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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


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 US9656991 (2017)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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


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))
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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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
3D
3D Structure (crystal)
Glutaminyl Cyclase


(Homo sapiens (human))
BDBM50299849
PNG
(1-(3,4-Dimethoxyphenyl)-3-(3-(4-methyl-1H-imidazol...)
Show SMILES COc1ccc(NC(=S)NCCCn2cnc(C)c2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12-10-20(11-18-12)8-4-7-17-16(23)19-13-5-6-14(21-2)15(9-13)22-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,17,19,23)
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60n/an/an/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 US9656991 (2017)

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


(Homo sapiens (human))
BDBM50299849
PNG
(1-(3,4-Dimethoxyphenyl)-3-(3-(4-methyl-1H-imidazol...)
Show SMILES COc1ccc(NC(=S)NCCCn2cnc(C)c2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12-10-20(11-18-12)8-4-7-17-16(23)19-13-5-6-14(21-2)15(9-13)22-3/h5-6,9-11H,4,7-8H2,1-3H3,(H2,17,19,23)
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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
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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60n/an/an/an/an/an/an/an/a



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))
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 -9.57n/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))
BDBM7917
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(3,4,5-trimethoxy...)
Show SMILES COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1OC
Show InChI InChI=1S/C16H22N4O3S/c1-21-13-9-12(10-14(22-2)15(13)23-3)19-16(24)18-5-4-7-20-8-6-17-11-20/h6,8-11H,4-5,7H2,1-3H3,(H2,18,19,24)
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340n/an/an/an/an/an/an/an/a



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))
BDBM7921
PNG
(1-((R)-3-(1H-Imidazol-1-yl)-2-methylpropyl)-3-(3,4...)
Show SMILES COc1ccc(NC(=S)NC[C@@H](C)Cn2ccnc2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12(10-20-7-6-17-11-20)9-18-16(23)19-13-4-5-14(21-2)15(8-13)22-3/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,23)/t12-/m1/s1
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340n/an/an/an/an/an/an/an/a



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))
BDBM7920
PNG
(1-(3,4-dimethoxyphenyl)-3-[4-(1H-imidazol-1-yl)but...)
Show SMILES COc1ccc(NC(=S)NCCCCn2ccnc2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-21-14-6-5-13(11-15(14)22-2)19-16(23)18-7-3-4-9-20-10-8-17-12-20/h5-6,8,10-12H,3-4,7,9H2,1-2H3,(H2,18,19,23)
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550n/an/an/an/an/an/an/an/a



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))
BDBM7909
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(4-methoxyphenyl)...)
Show SMILES COc1ccc(NC(=S)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C14H18N4OS/c1-19-13-5-3-12(4-6-13)17-14(20)16-7-2-9-18-10-8-15-11-18/h3-6,8,10-11H,2,7,9H2,1H3,(H2,16,17,20)
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700n/an/an/an/an/an/an/an/a



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))
BDBM7914
PNG
(1-(3,5-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)pro...)
Show SMILES COc1cc(NC(=S)NCCCn2ccnc2)cc(OC)c1
Show InChI InChI=1S/C15H20N4O2S/c1-20-13-8-12(9-14(10-13)21-2)18-15(22)17-4-3-6-19-7-5-16-11-19/h5,7-11H,3-4,6H2,1-2H3,(H2,17,18,22)
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750n/an/an/an/an/an/an/an/a



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))
BDBM7922
PNG
(1-((S)-3-(1H-Imidazol-1-yl)-2-methylpropyl)-3-(3,4...)
Show SMILES COc1ccc(NC(=S)NC[C@H](C)Cn2ccnc2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-12(10-20-7-6-17-11-20)9-18-16(23)19-13-4-5-14(21-2)15(8-13)22-3/h4-8,11-12H,9-10H2,1-3H3,(H2,18,19,23)/t12-/m0/s1
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760n/an/an/an/an/an/an/an/a



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))
BDBM7908
PNG
(1-(4-Ethoxy-phenyl)-3-(3-(1H-imidazol-1-yl)-propyl...)
Show SMILES CCOc1ccc(NC(=S)NCCCn2ccnc2)cc1
Show InChI InChI=1S/C15H20N4OS/c1-2-20-14-6-4-13(5-7-14)18-15(21)17-8-3-10-19-11-9-16-12-19/h4-7,9,11-12H,2-3,8,10H2,1H3,(H2,17,18,21)
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890n/an/an/an/an/an/an/an/a



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))
BDBM7913
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(2,3-dihydrobenzo...)
Show SMILES S=C(NCCCn1ccnc1)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C15H18N4O2S/c22-15(17-4-1-6-19-7-5-16-11-19)18-12-2-3-13-14(10-12)21-9-8-20-13/h2-3,5,7,10-11H,1,4,6,8-9H2,(H2,17,18,22)
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1.12E+3n/an/an/an/an/an/an/an/a



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))
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 -7.83n/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))
BDBM7911
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(3-methoxyphenyl)...)
Show SMILES COc1cccc(NC(=S)NCCCn2ccnc2)c1
Show InChI InChI=1S/C14H18N4OS/c1-19-13-5-2-4-12(10-13)17-14(20)16-6-3-8-18-9-7-15-11-18/h2,4-5,7,9-11H,3,6,8H2,1H3,(H2,16,17,20)
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1.86E+3n/an/an/an/an/an/an/an/a



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))
BDBM7923
PNG
(1-((1-((1H-Imidazol-1-yl)methyl)cyclopropyl)methyl...)
Show SMILES COc1ccc(NC(=S)NCC2(Cn3ccnc3)CC2)cc1OC
Show InChI InChI=1S/C17H22N4O2S/c1-22-14-4-3-13(9-15(14)23-2)20-16(24)19-10-17(5-6-17)11-21-8-7-18-12-21/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H2,19,20,24)
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2.33E+3n/an/an/an/an/an/an/an/a



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))
BDBM7924
PNG
(1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)pro...)
Show SMILES COc1ccc(NC(=S)N(C)CCCn2ccnc2)cc1OC
Show InChI InChI=1S/C16H22N4O2S/c1-19(8-4-9-20-10-7-17-12-20)16(23)18-13-5-6-14(21-2)15(11-13)22-3/h5-7,10-12H,4,8-9H2,1-3H3,(H,18,23)
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4.83E+3n/an/an/an/an/an/an/an/a



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))
BDBM7910
PNG
(1-(3-(1H-Imidazol-1-yl)propyl)-3-(benzo[d][1,3]dio...)
Show SMILES S=C(NCCCn1ccnc1)Nc1ccc2OCOc2c1
Show InChI InChI=1S/C14H16N4O2S/c21-14(16-4-1-6-18-7-5-15-9-18)17-11-2-3-12-13(8-11)20-10-19-12/h2-3,5,7-9H,1,4,6,10H2,(H2,16,17,21)
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5.66E+3n/an/an/an/an/an/an/an/a



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))
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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Article
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n/an/a 5.30E+3n/an/an/an/an/an/a



Shenzhen University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant glutaminyl cyclase expressed in Escherichia coli using H-Gln-Gln-H substrate measured for 15 mins by spectrophotometr...


Bioorg Med Chem 24: 2280-6 (2016)


Article DOI: 10.1016/j.bmc.2016.03.064
BindingDB Entry DOI: 10.7270/Q2P55QDH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 119n/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Inhibition of human glutaminyl cyclase expressed in HEK293 cells using L-glutaminyl-beta-naphthylamine as substrate after 1 hr by fluorometric analys...


Bioorg Med Chem 21: 3821-30 (2013)


Article DOI: 10.1016/j.bmc.2013.04.005
BindingDB Entry DOI: 10.7270/Q2BR8TJF
More data for this
Ligand-Target Pair
3D
3D Structure (docked)