Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 1083   

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))	BDBM98187 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	12.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM98186 (US8486940, 73 | US9650362, 73) Show SMILES CCCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2nc[nH]c2c1 |r| Show InChI InChI=1S/C19H19N3O3/c1-2-9-24-15-6-3-13(4-7-15)18-11-25-19(23)22(18)14-5-8-16-17(10-14)21-12-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,21)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	33.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308046 ((S)-1-(1H- benzo[d]imidazol-5-yl)-5-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	37.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308047 ((S)-1-(1H-1,3-benzodiazol- 5-yl)-5-(4- biphenyl)im...) Show SMILES O=C1NC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	40.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308052 ((S)-2-(1H-benzo[d]imidazol- 5-yl)-3-(3,4- dimethox...) Show SMILES COc1ccc(cc1OC)[C@@H]1N(C(=O)c2ccccc12)c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	53.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308053 ((S)-2-(1H-benzo[d]imidazol- 5-yl)-3-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@@H]1N(C(=O)c2ccccc12)c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	58.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308044 (1-(1H-benzo[d]imidazol-5- yl)-5-(4- propoxyphenyl)...) Show SMILES CCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	62.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308048 (5-(4-butoxyphenyl)-1-(H- imidazo[1,2-a]pyridin-7- ...) Show SMILES CCCCOc1ccc(cc1)C1CNC(=O)N1c1ccn2ccnc2c1 Show InChI InChI=1S/C20H22N4O2/c1-2-3-12-26-17-6-4-15(5-7-17)18-14-22-20(25)24(18)16-8-10-23-11-9-21-19(23)13-16/h4-11,13,18H,2-3,12,14H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM98185 (US8486940, 60 | US9650362, 60) Show SMILES O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c27-22-24-15-20(26(22)19-10-12-25-13-11-23-21(25)14-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,20H,15H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	149	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308045 ((R)-1-(1H- benzo[d]imidazol-5-yl)-5-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM98187 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM98186 (US8486940, 73 | US9650362, 73) Show SMILES CCCOc1ccc(cc1)[C@H]1COC(=O)N1c1ccc2nc[nH]c2c1 |r| Show InChI InChI=1S/C19H19N3O3/c1-2-9-24-15-6-3-13(4-7-15)18-11-25-19(23)22(18)14-5-8-16-17(10-14)21-12-20-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,21)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308046 ((S)-1-(1H- benzo[d]imidazol-5-yl)-5-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	238	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308053 ((S)-2-(1H-benzo[d]imidazol- 5-yl)-3-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@@H]1N(C(=O)c2ccccc12)c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308047 ((S)-1-(1H-1,3-benzodiazol- 5-yl)-5-(4- biphenyl)im...) Show SMILES O=C1NC[C@@H](N1c1ccc2[nH]cnc2c1)c1ccc(cc1)-c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308052 ((S)-2-(1H-benzo[d]imidazol- 5-yl)-3-(3,4- dimethox...) Show SMILES COc1ccc(cc1OC)[C@@H]1N(C(=O)c2ccccc12)c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	297	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308048 (5-(4-butoxyphenyl)-1-(H- imidazo[1,2-a]pyridin-7- ...) Show SMILES CCCCOc1ccc(cc1)C1CNC(=O)N1c1ccn2ccnc2c1 Show InChI InChI=1S/C20H22N4O2/c1-2-3-12-26-17-6-4-15(5-7-17)18-14-22-20(25)24(18)16-8-10-23-11-9-21-19(23)13-16/h4-11,13,18H,2-3,12,14H2,1H3,(H,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	397	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308044 (1-(1H-benzo[d]imidazol-5- yl)-5-(4- propoxyphenyl)...) Show SMILES CCCOc1ccc(cc1)C1CNC(=O)N1c1ccc2[nH]cnc2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	482	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM98185 (US8486940, 60 | US9650362, 60) Show SMILES O=C1NCC(N1c1ccn2ccnc2c1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c27-22-24-15-20(26(22)19-10-12-25-13-11-23-21(25)14-19)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,20H,15H2,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM308045 ((R)-1-(1H- benzo[d]imidazol-5-yl)-5-(4- propoxyphe...) Show SMILES CCCOc1ccc(cc1)[C@@H]1CNC(=O)N1c1ccc2[nH]cnc2c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	3.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
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 fluorometrical...				US Patent US9650362 (2017) BindingDB Entry DOI: 10.7270/Q2VD71H9
					More data for this Ligand-Target Pair