BDBM50318706 CHEMBL1083973::Ethyl 5-Amino-2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta-[b][1,8]naphthyridine-3-carboxylate

SMILES: CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C

InChI Key: InChIKey=KTSROZJJBCCRGO-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50318706   

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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50318706 (CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50318706 (CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Bos taurus (bovine))	BDBM50318706 (CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Displacement of propidium iodide from AChE in bovine erythrocytes after 15 mins by fluorescence plate reader				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50318706 (CHEMBL1083973 | Ethyl 5-Amino-2-methyl-7,8,9,10-te...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCCc3nc2nc1C Show InChI InChI=1S/C17H21N3O2/c1-3-22-17(21)12-9-13-15(18)11-7-5-4-6-8-14(11)20-16(13)19-10(12)2/h9H,3-8H2,1-2H3,(H2,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by Ellman's method				J Med Chem 53: 5129-43 (2010) Article DOI: 10.1021/jm901902w BindingDB Entry DOI: 10.7270/Q25T3MFV
					More data for this Ligand-Target Pair