BDBM50359286 CHEMBL1928381

SMILES: CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1

InChI Key: InChIKey=IHQJLWHPJJPTHT-UHFFFAOYSA-N

Data: 2 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 4 hits for monomerid = 50359286   

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))	BDBM50359286 (CHEMBL1928381) Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.21E+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 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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50359286 (CHEMBL1928381) Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.44E+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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50359286 (CHEMBL1928381) Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.88E+4	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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM50359286 (CHEMBL1928381) Show SMILES CCCC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-2-3-16(21)24-13-6-4-12(5-7-13)11-23-17(22)20-15-8-9-19-10-14(15)18/h4-10H,2-3,11,18H2,1H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.12E+5	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