BDBM50430534 CHEMBL2336428

SMILES: Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1

InChI Key: InChIKey=LCSSDHOWSYPALV-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 = 50430534   

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 (Rattus norvegicus (rat))	BDBM50430534 (CHEMBL2336428) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(H,44,45)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	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 AChE in Wistar rat brain cortex using acetylthiocholine 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
Cholinesterases (Homo sapiens (Human))	BDBM50430534 (CHEMBL2336428) Show SMILES Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1CCCCCCCCNc1c2CCCCc2nc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C42H43FN4/c43-34-27-25-33(26-28-34)42-46-39(31-17-7-5-8-18-31)41(32-19-9-6-10-20-32)47(42)30-16-4-2-1-3-15-29-44-40-35-21-11-13-23-37(35)45-38-24-14-12-22-36(38)40/h5-11,13,17-21,23,25-28H,1-4,12,14-16,22,24,29-30H2,(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	57	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