BDBM50061158 CHEMBL3393676

SMILES: O[C@@H]1CN[C@H](Cc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@H](O)[C@H]1O

InChI Key: InChIKey=MGMUKXIKROCOQT-GKQHHHCTSA-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 = 50061158   

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))	BDBM50061158 (CHEMBL3393676) Show SMILES O[C@@H]1CN[C@H](Cc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@H](O)[C@H]1O |r| Show InChI InChI=1S/C29H32N4O5/c34-27-15-30-26(28(35)29(27)36)13-23-17-33(32-31-23)16-22-11-24(37-18-20-7-3-1-4-8-20)14-25(12-22)38-19-21-9-5-2-6-10-21/h1-12,14,17,26-30,34-36H,13,15-16,18-19H2/t26-,27-,28+,29+/m1/s1	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	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Strasbourg/CNRS (UMR 7509) Curated by ChEMBL					Assay Description Inhibition of human recombinant serum BuchE using butyrylthiocholine iodide as substrate by Ellman method				Bioorg Med Chem Lett 25: 830-3 (2015) Article DOI: 10.1016/j.bmcl.2014.12.071 BindingDB Entry DOI: 10.7270/Q22B90QH
					More data for this Ligand-Target Pair