Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Glutaminyl-peptide cyclotransferase' and Ligand = 'BDBM7918'   

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	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 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	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				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	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))	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))	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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acsmedchemlett.2c00256 BindingDB Entry DOI: 10.7270/Q23X8BQF
					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	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)