BDBM50430526 CHEMBL2335967

SMILES: N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=PPYGTMVNRQMKFB-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 = 50430526   

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))	BDBM50430526 (CHEMBL2335967) Show SMILES N#Cc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H41N5/c43-30-31-24-26-34(27-25-31)42-46-39(32-16-6-4-7-17-32)41(33-18-8-5-9-19-33)47(42)29-15-3-1-2-14-28-44-40-35-20-10-12-22-37(35)45-38-23-13-11-21-36(38)40/h4-10,12,16-20,22,24-27H,1-3,11,13-15,21,23,28-29H2,(H,44,45)	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	7.10	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