BDBM50235798 CHEMBL4079521

SMILES: CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1

InChI Key: InChIKey=VQOQSTLTDFPMIP-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 = 50235798   

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
Cholinesterase (Equus caballus (Horse))	BDBM50235798 (CHEMBL4079521) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1 Show InChI InChI=1S/C23H31N3O5/c1-23(2,17-10-8-7-9-11-17)24-15-20(27)16-12-18(30-21(28)25(3)4)14-19(13-16)31-22(29)26(5)6/h7-14,20,24,27H,15H2,1-6H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	476	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Norepinephrine transporter activity was determined by the ability of compound to inhibit the neurotransmitter norepinephrine-NE reuptake system using...				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50235798 (CHEMBL4079521) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)c1ccccc1 Show InChI InChI=1S/C23H31N3O5/c1-23(2,17-10-8-7-9-11-17)24-15-20(27)16-12-18(30-21(28)25(3)4)14-19(13-16)31-22(29)26(5)6/h7-14,20,24,27H,15H2,1-6H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Antagonism of batrachotoxin-mediated sodium ion uptake into cultured neuroblastoma cells				Eur J Med Chem 126: 61-71 (2017) Article DOI: 10.1016/j.ejmech.2016.08.061 BindingDB Entry DOI: 10.7270/Q2571F8X
					More data for this Ligand-Target Pair