BDBM50435953 CHEMBL2391487

SMILES: Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12

InChI Key: InChIKey=ZICKHCKGQJNYPU-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 = 50435953   

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 (Electrophorus electricus (Electric eel))	BDBM50435953 (CHEMBL2391487) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C32H36N4O4/c1-22-19-31(38)40-29-20-23(11-12-24(22)29)39-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-25-7-2-4-9-27(25)33-28-10-5-3-8-26(28)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to 180...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50435953 (CHEMBL2391487) Show SMILES Cc1cc(=O)oc2cc(OCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12 Show InChI InChI=1S/C32H36N4O4/c1-22-19-31(38)40-29-20-23(11-12-24(22)29)39-18-6-13-35-14-16-36(17-15-35)21-30(37)34-32-25-7-2-4-9-27(25)33-28-10-5-3-8-26(28)32/h2,4,7,9,11-12,19-20H,3,5-6,8,10,13-18,21H2,1H3,(H,33,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	628	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins prior to substrate addition measured at 60 to ...				Eur J Med Chem 64: 540-53 (2013) Article DOI: 10.1016/j.ejmech.2013.03.051 BindingDB Entry DOI: 10.7270/Q2H996KW
					More data for this Ligand-Target Pair