BDBM50235414 CHEMBL4095975

SMILES: CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Cl)c1)c1ccccc1

InChI Key: InChIKey=LMSYKVRXMIQBGB-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50235414   

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))	BDBM50235414 (CHEMBL4095975) Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Cl)c1)c1ccccc1 |t:5| Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	228	n/a	n/a	n/a	n/a	n/a	n/a
University of Mazandaran Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min...				Eur J Med Chem 128: 237-246 (2017) Article DOI: 10.1016/j.ejmech.2017.01.042 BindingDB Entry DOI: 10.7270/Q2GM89J3
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50235414 (CHEMBL4095975) Show SMILES CCOC(=O)C1=C(Oc2nc3CCCCc3c(N)c2C1c1cccc(Cl)c1)c1ccccc1 |t:5| Show InChI InChI=1S/C27H25ClN2O3/c1-2-32-27(31)23-21(17-11-8-12-18(28)15-17)22-24(29)19-13-6-7-14-20(19)30-26(22)33-25(23)16-9-4-3-5-10-16/h3-5,8-12,15,21H,2,6-7,13-14H2,1H3,(H2,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mazandaran Curated by ChEMBL					Assay Description Inhibition of human BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for 1 min by E...				Eur J Med Chem 128: 237-246 (2017) Article DOI: 10.1016/j.ejmech.2017.01.042 BindingDB Entry DOI: 10.7270/Q2GM89J3
					More data for this Ligand-Target Pair