Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 5650   

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))	BDBM7918 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	95	-40.1	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM7887 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	262	-37.6	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM7887 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	607	-35.5	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM7949 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	1.70E+3	-32.9	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM7918 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.82E+3	-32.8	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM7949 (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)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	5.75E+3	-29.9	n/a	n/a	n/a	n/a	n/a	8.0	25
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 Structure (crystal)
Glutaminyl-peptide cyclotransferase (Homo sapiens (Human))	BDBM92451 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	1.82E+6	-15.6	n/a	n/a	n/a	n/a	n/a	8.0	25
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-peptide cyclotransferase (Homo sapiens (Human))	BDBM92451 (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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem	Article PubMed	6.70E+6	-12.4	n/a	n/a	n/a	n/a	n/a	8.0	25
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