Compile Data Set for Download or QSAR

Found 1466 hits Enz. Inhib. hit(s) with Target = 'Glutaminyl Cyclase'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259915 (US9512115, 19) Show SMILES Fc1c(F)c(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.49	-49.9	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259915 (US9512115, 19) Show SMILES Fc1c(F)c(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.53	-49.9	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM50299858 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259914 (US9512115, 18) Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.69	-49.7	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259898 (US9512115, 1) Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	-49.5	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259914 (US9512115, 18) Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.92	-49.5	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM149365 (US8962860, 9) Show SMILES COc1ccc(cc1O)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.24	-49.3	3.08	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259907 (US9512115, 11) Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.34	-49.2	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259898 (US9512115, 1) Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.58	-49.0	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM149363 (US8962860, 6) Show SMILES CCCOc1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.80	-48.9	234	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435105 (US10584120, Compound 39) Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1cnc(s1)C1CC1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435111 (US10584120, Compound 45) Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1nnn(CC2CC2)n1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435104 (US10584120, Compound 38) Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1csc(n1)C1CC1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM149366 (US8962860, 11) Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1ccccc1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.13	-48.7	48	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM3737 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.40	-48.5	235	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259916 (US9512115, 20) Show SMILES Fc1cc(cc(F)c1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.53	-48.4	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM3740 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.60	-48.4	46.1	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435108 (US10584120, Compound 42) Show SMILES CCCn1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259900 (US9512115, 3) Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.02	-48.2	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259900 (US9512115, 3) Show SMILES CC(F)(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.03	-48.2	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259919 (US9512115, 23) Show SMILES FC1(F)CCN(C1)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(c1)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.15	-48.1	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259916 (US9512115, 20) Show SMILES Fc1cc(cc(F)c1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)N1CCC(F)(F)C1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.29	-48.0	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259907 (US9512115, 11) Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.54	-47.9	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM50299853 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q21Z46GV
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435128 (US10584120, Compound 62) Show SMILES COCc1cc(cs1)-c1ccc(C2CNC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435114 (US10584120, Compound 47) Show SMILES O=C1NC(=O)N(C1c1ccc(cc1)-c1nnn(CC#C)n1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM149358 (US8962860, 1) Show SMILES O=C1NC(=O)N(C1c1ccc2nsnc2c1)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.07	-47.7	69.7	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259903 (US9512115, 6) Show SMILES CC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.21	-47.6	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM50299853 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM149375 (US8962860, 42) Show SMILES Fc1cc(Br)ccc1C1N(C(=O)NC1=S)c1ccc2nc[nH]c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.49	-47.5	24	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259899 (US9512115, 2) Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.54	-47.5	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259913 (US9512115, 17) Show SMILES CC(F)(F)COc1cc(F)c([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.66	-47.4	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259903 (US9512115, 6) Show SMILES CC(F)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.71	-47.4	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435123 (US10584120, Compound 56) Show SMILES Fc1c(F)c(ccc1[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1)-c1csc(c1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435126 (US10584120, Compound 60) Show SMILES Cc1cc(cs1)-c1ccc(C2CNC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259919 (US9512115, 23) Show SMILES FC1(F)CCN(C1)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(c1)C#N |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.89	-47.0	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435112 (US10584120, Compound 46) Show SMILES FC(F)(F)Cn1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435109 (US10584120, Compound 43) Show SMILES CC(C)n1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259913 (US9512115, 17) Show SMILES CC(F)(F)COc1cc(F)c([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.29	-46.9	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259899 (US9512115, 2) Show SMILES FC(F)CCOc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.5	-46.8	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259906 (US9512115, 10) Show SMILES CC(F)(F)CCOc1ccc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.95	-46.7	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259906 (US9512115, 10) Show SMILES CC(F)(F)CCOc1ccc(cc1F)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	8.99	-46.7	n/a	n/a	n/a	n/a	n/a	8.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435106 (US10584120, Compound 40) Show SMILES FC(F)(F)c1ncc(s1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259921 (US9512115, 25) Show SMILES Fc1cc(ccc1[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1)C1CCC(F)(F)CC1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.24	-46.6	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM259904 (US9512115, 7) Show SMILES CC(C)(F)COc1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)c(F)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.83	-46.5	n/a	n/a	n/a	n/a	n/a	6.0	30
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-peptide cyclotransferase-like protein (Homo sapiens (Human))	BDBM190690 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	10	-46.4	80	n/a	n/a	n/a	n/a	n/a	30
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM435116 (US10584120, Compound 49) Show SMILES CCC#CCn1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435110 (US10584120, Compound 44) Show SMILES CC(C)Cn1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM435115 (US10584120, Compound 48) Show SMILES CC#CCn1nnc(n1)-c1ccc(cc1)C1N(C(=O)NC1=O)c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes; Academia Sinica US Patent					Assay Description An inhibition activity assay of QC inhibitors was conducted. See Huang et al., J. Biol. Chem. 2011, 286, 12439-12449. A reaction mixture containing 3...				US Patent US10584120 (2020) BindingDB Entry DOI: 10.7270/Q2ZK5K20
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM259917 (US9512115, 21) Show SMILES Fc1cc(ccc1N1CCC(F)(F)C1)[C@H]1COC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.4	-46.3	n/a	n/a	n/a	n/a	n/a	6.0	30
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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