BDBM50430522 CHEMBL2335971

SMILES: Clc1cccc(c1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=DGHGOSYIEYKLFG-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50430522   

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
Cholinesterases (Homo sapiens (Human))	BDBM50430522 (CHEMBL2335971) Show SMILES Clc1cccc(c1)-c1nc(c(-c2ccccc2)n1CCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C40H39ClN4/c41-32-21-15-20-31(28-32)40-44-37(29-16-5-3-6-17-29)39(30-18-7-4-8-19-30)45(40)27-14-2-1-13-26-42-38-33-22-9-11-24-35(33)43-36-25-12-10-23-34(36)38/h3-9,11,15-22,24,28H,1-2,10,12-14,23,25-27H2,(H,42,43)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio Grande do Sul Curated by ChEMBL					Assay Description Inhibition of BuChE in human plasma using butyrylthiocholine iodide as substrate by Ellman's colorimetric method				Eur J Med Chem 62: 556-63 (2013) Article DOI: 10.1016/j.ejmech.2013.01.029 BindingDB Entry DOI: 10.7270/Q25Q4XFX
					More data for this Ligand-Target Pair