null

SMILES: CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C

InChI Key: InChIKey=XGQUEKANWWMGAJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50317074   

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 (Electrophorus electricus (Electric eel))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 20: 2950-3 (2010) Article DOI: 10.1016/j.bmcl.2010.03.010 BindingDB Entry DOI: 10.7270/Q2TH8MVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	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	780	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of human AChE				Bioorg Med Chem Lett 20: 2950-3 (2010) Article DOI: 10.1016/j.bmcl.2010.03.010 BindingDB Entry DOI: 10.7270/Q2TH8MVX
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	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	780	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
Cholinesterase (Equus caballus (Horse))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of Equus caballus BuChE				Bioorg Med Chem Lett 20: 2950-3 (2010) Article DOI: 10.1016/j.bmcl.2010.03.010 BindingDB Entry DOI: 10.7270/Q2TH8MVX
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50317074 (CHEMBL1087194 | ethyl 5-amino-2-methyl-6,7,8,9-tet...) Show SMILES CCOC(=O)c1cc2c(N)c3CCCCc3nc2nc1C Show InChI InChI=1S/C16H19N3O2/c1-3-21-16(20)11-8-12-14(17)10-6-4-5-7-13(10)19-15(12)18-9(11)2/h8H,3-7H2,1-2H3,(H2,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Autonoma de Madrid Curated by ChEMBL					Assay Description Inhibition of AChE (unknown orign) by Lineweaver-Burke plot				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