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SMILES: Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12

InChI Key: InChIKey=YPGLQZHTOGJODD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50278987   

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))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Mixed inhibition of electric eel AChE using acetylthiocholine iodide as substrate measured from 0.5 to 1.5 mins by Dixon plot analysis				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 mi...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50278987 (CHEMBL4165299) Show SMILES Clc1cc(cc(Cl)n1)C(=O)NCCCCCCNCc1c[nH]c2ccccc12 Show InChI InChI=1S/C21H24Cl2N4O/c22-19-11-15(12-20(23)27-19)21(28)25-10-6-2-1-5-9-24-13-16-14-26-18-8-4-3-7-17(16)18/h3-4,7-8,11-12,14,24,26H,1-2,5-6,9-10,13H2,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human serum AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 3 min...				Eur J Med Chem 141: 197-210 (2017) Article DOI: 10.1016/j.ejmech.2017.09.022 BindingDB Entry DOI: 10.7270/Q27083ZM
					More data for this Ligand-Target Pair