BDBM50235804 CHEMBL4087400

SMILES: CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C

InChI Key: InChIKey=NXHXIJRYYZJXJK-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 = 50235804   

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))	BDBM50235804 (CHEMBL4087400) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C Show InChI InChI=1S/C22H25N3O5/c1-6-15-8-7-9-17(10-15)23-14-20(26)16-11-18(29-21(27)24(2)3)13-19(12-16)30-22(28)25(4)5/h1,7-13,20,23,26H,14H2,2-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	686	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured afte...				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))	BDBM50235804 (CHEMBL4087400) Show SMILES CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNc1cccc(c1)C#C Show InChI InChI=1S/C22H25N3O5/c1-6-15-8-7-9-17(10-15)23-14-20(26)16-11-18(29-21(27)24(2)3)13-19(12-16)30-22(28)25(4)5/h1,7-13,20,23,26H,14H2,2-5H3	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 Inhibition of electric eel AChE using S-acetylthiocholine iodide as substrate preincubated for 60 mins followed by substrate addition measured after ...				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