BDBM50232245 CHEMBL4080105

SMILES: COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCCC1

InChI Key: InChIKey=MAZPMOOWHCJJOW-BMRADRMJSA-N

Data: 2 KI  2 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 = 50232245   

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))	BDBM50232245 (CHEMBL4080105) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCCC1 Show InChI InChI=1S/C27H36N2O3/c1-31-26-22-23(15-17-27(30)28-24-12-6-4-7-13-24)14-16-25(26)32-21-11-3-2-8-18-29-19-9-5-10-20-29/h4,6-7,12-17,22H,2-3,5,8-11,18-21H2,1H3,(H,28,30)/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Competitive inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Michaelis-Menten plot analysis				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50232245 (CHEMBL4080105) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCCC1 Show InChI InChI=1S/C27H36N2O3/c1-31-26-22-23(15-17-27(30)28-24-12-6-4-7-13-24)14-16-25(26)32-21-11-3-2-8-18-29-19-9-5-10-20-29/h4,6-7,12-17,22H,2-3,5,8-11,18-21H2,1H3,(H,28,30)/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Noncompetitive inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate by Michaelis-Menten plot analysis				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50232245 (CHEMBL4080105) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCCC1 Show InChI InChI=1S/C27H36N2O3/c1-31-26-22-23(15-17-27(30)28-24-12-6-4-7-13-24)14-16-25(26)32-21-11-3-2-8-18-29-19-9-5-10-20-29/h4,6-7,12-17,22H,2-3,5,8-11,18-21H2,1H3,(H,28,30)/b17-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of acetylcholinesterase (unknown origin) using acetylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50232245 (CHEMBL4080105) Show SMILES COc1cc(\C=C\C(=O)Nc2ccccc2)ccc1OCCCCCCN1CCCCC1 Show InChI InChI=1S/C27H36N2O3/c1-31-26-22-23(15-17-27(30)28-24-12-6-4-7-13-24)14-16-25(26)32-21-11-3-2-8-18-29-19-9-5-10-20-29/h4,6-7,12-17,22H,2-3,5,8-11,18-21H2,1H3,(H,28,30)/b17-15+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Hu'nan University Curated by ChEMBL					Assay Description Inhibition of butyrylcholinesterase (unknown origin) using butyrylthiocholine iodide as substrate after 25 mins by Ellmann method				Eur J Med Chem 126: 810-822 (2017) BindingDB Entry DOI: 10.7270/Q2HH6N9M
					More data for this Ligand-Target Pair