null

SMILES: Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=SCHXMKVUYVNKRR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50049859   

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))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50049859 (CHEMBL3322231) Show SMILES Cl.Clc1ccc(cc1)-c1nc2ccc(cc2c2NCCCc12)C(=O)NCCCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C40H43Cl2N5O/c41-28-16-13-26(14-17-28)37-32-11-9-23-44-39(32)33-24-27(15-20-35(33)47-37)40(48)45-22-8-4-2-1-3-7-21-43-38-30-10-5-6-12-34(30)46-36-25-29(42)18-19-31(36)38/h13-20,24-25,44H,1-12,21-23H2,(H,43,46)(H,45,48)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	286	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate by spectrophotometric analysis				Eur J Med Chem 84: 107-17 (2014) Article DOI: 10.1016/j.ejmech.2014.07.021 BindingDB Entry DOI: 10.7270/Q2571DNF
					More data for this Ligand-Target Pair