BDBM50138426 CHEMBL3751866

SMILES: O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2o1

InChI Key: InChIKey=MXWGOVLVJYDLRV-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 = 50138426   

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 (Homo sapiens (Human))	BDBM50138426 (CHEMBL3751866) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2o1 Show InChI InChI=1S/C29H33N3O2/c33-29(27-20-21-12-4-9-17-26(21)34-27)31-19-11-3-1-2-10-18-30-28-22-13-5-7-15-24(22)32-25-16-8-6-14-23(25)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50138426 (CHEMBL3751866) Show SMILES O=C(NCCCCCCCNc1c2CCCCc2nc2ccccc12)c1cc2ccccc2o1 Show InChI InChI=1S/C29H33N3O2/c33-29(27-20-21-12-4-9-17-26(21)34-27)31-19-11-3-1-2-10-18-30-28-22-13-5-7-15-24(22)32-25-16-8-6-14-23(25)28/h4-5,7,9,12-13,15,17,20H,1-3,6,8,10-11,14,16,18-19H2,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair