BDBM50299853 1-(3,4-Dimethoxyphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)thiourea::CHEMBL566563::US9656991, 1

SMILES: COc1ccc(NC(=S)NCCCn2cncc2C)cc1OC

InChI Key: InChIKey=AYTMAWUKURFAAB-UHFFFAOYSA-N

Data: 2 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50299853   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutaminyl Cyclase (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 Cyclase (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 Cyclase (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	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/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 Structure (docked)
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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged glutaminyl cyclase (Ala33 to Leu361 residues) expressed in baculovirus infected Sf21 insect ce...				J Med Chem 62: 8011-8027 (2019) Article DOI: 10.1021/acs.jmedchem.9b00751
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutaminyl Cyclase (Mus musculus (mouse))	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 GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of mouse glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...				J Med Chem 60: 2573-2590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00098 BindingDB Entry DOI: 10.7270/Q23X88X9
					More data for this Ligand-Target Pair
Glutaminyl Cyclase (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	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Inhibition of human glutaminyl cyclase assessed as reduction in conversion of H-Gln-AMC hydrobromide to pGlu-AMC preincubated with substrate for 10 m...				J Med Chem 60: 2573-2590 (2017) Article DOI: 10.1021/acs.jmedchem.7b00098 BindingDB Entry DOI: 10.7270/Q23X88X9
					More data for this Ligand-Target Pair				3D Structure (docked)