BDBM50359294 CHEMBL1928387

SMILES: Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1

InChI Key: InChIKey=XWRKSVOQSFYXME-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50359294   

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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50359294 (CHEMBL1928387) Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.07E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay				Bioorg Med Chem 19: 6203-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.019 BindingDB Entry DOI: 10.7270/Q25B02XJ
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50359294 (CHEMBL1928387) Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as a substrate by spectrophotometric Ellman's assay				Bioorg Med Chem 19: 6203-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.019 BindingDB Entry DOI: 10.7270/Q25B02XJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359294 (CHEMBL1928387) Show SMILES Nc1cnccc1NC(=O)OCc1ccc(OC(=O)Cc2ccccc2)cc1 Show InChI InChI=1S/C21H19N3O4/c22-18-13-23-11-10-19(18)24-21(26)27-14-16-6-8-17(9-7-16)28-20(25)12-15-4-2-1-3-5-15/h1-11,13H,12,14,22H2,(H,23,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus Type V-S acetylcholinesterase using acetylcholine iodide as substrate by spectrophotometric Ellman's assay				Bioorg Med Chem 19: 6203-9 (2011) Article DOI: 10.1016/j.bmc.2011.09.019 BindingDB Entry DOI: 10.7270/Q25B02XJ
					More data for this Ligand-Target Pair