BDBM50090198 1-Aminomethyl-6,8-dimethoxy-isoquinoline-4-carboxylic acid ethyl ester; hydrochloride::CHEMBL186406::CHEMBL555560

SMILES: CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12

InChI Key: InChIKey=YWERKLDMXHCBDE-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50090198   

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
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50090198 (1-Aminomethyl-6,8-dimethoxy-isoquinoline-4-carboxy...) Show SMILES CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12 Show InChI InChI=1S/C15H18N2O4/c1-4-21-15(18)11-8-17-12(7-16)14-10(11)5-9(19-2)6-13(14)20-3/h5-6,8H,4,7,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against dipeptidyl-peptidase IV				J Med Chem 47: 4135-41 (2004) Article DOI: 10.1021/jm030628v BindingDB Entry DOI: 10.7270/Q2902380
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50090198 (1-Aminomethyl-6,8-dimethoxy-isoquinoline-4-carboxy...) Show SMILES CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12 Show InChI InChI=1S/C15H18N2O4/c1-4-21-15(18)11-8-17-12(7-16)14-10(11)5-9(19-2)6-13(14)20-3/h5-6,8H,4,7,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of Dipeptidylpeptidase IV from Caco-2 (human colon carcinoma) cells.				Bioorg Med Chem Lett 10: 1555-8 (2000) BindingDB Entry DOI: 10.7270/Q24F1R8D
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50090198 (1-Aminomethyl-6,8-dimethoxy-isoquinoline-4-carboxy...) Show SMILES CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12 Show InChI InChI=1S/C15H18N2O4/c1-4-21-15(18)11-8-17-12(7-16)14-10(11)5-9(19-2)6-13(14)20-3/h5-6,8H,4,7,16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
National Health Research Institutes Curated by ChEMBL					Assay Description Inhibition of human DPP4 expressed in baculovirus system				Eur J Med Chem 43: 1603-11 (2008) Article DOI: 10.1016/j.ejmech.2007.11.014 BindingDB Entry DOI: 10.7270/Q2V69JCD
					More data for this Ligand-Target Pair