BDBM50193513 CHEMBL3964439

SMILES: CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O

InChI Key: InChIKey=WVGUEYXUJOQRDW-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 = 50193513   

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))	BDBM50193513 (CHEMBL3964439) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C42H53Cl2N5O3S/c1-49-38-19-12-10-17-34(38)42(35-24-22-31(44)29-39(35)53(49,51)52)47-27-15-7-4-8-20-40(50)45-25-13-5-2-3-6-14-26-46-41-32-16-9-11-18-36(32)48-37-28-30(43)21-23-33(37)41/h10,12,17,19,21-24,28-29,42,47H,2-9,11,13-16,18,20,25-27H2,1H3,(H,45,50)(H,46,48)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	452	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 Wistar rat brain AChE using acetylthiochloline iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50193513 (CHEMBL3964439) Show SMILES CN1c2ccccc2C(NCCCCCCC(=O)NCCCCCCCCNc2c3CCCCc3nc3cc(Cl)ccc23)c2ccc(Cl)cc2S1(=O)=O Show InChI InChI=1S/C42H53Cl2N5O3S/c1-49-38-19-12-10-17-34(38)42(35-24-22-31(44)29-39(35)53(49,51)52)47-27-15-7-4-8-20-40(50)45-25-13-5-2-3-6-14-26-46-41-32-16-9-11-18-36(32)48-37-28-30(43)21-23-33(37)41/h10,12,17,19,21-24,28-29,42,47H,2-9,11,13-16,18,20,25-27H2,1H3,(H,45,50)(H,46,48)	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	456	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 human plasma BuChE using S-butyrylthiocholine iodide as substrate after 30 mins by Ellman's method				Eur J Med Chem 121: 758-772 (2016) Article DOI: 10.1016/j.ejmech.2016.06.025 BindingDB Entry DOI: 10.7270/Q2X92D8D
					More data for this Ligand-Target Pair