BDBM50359288 CHEMBL1928383

SMILES: CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1

InChI Key: InChIKey=MSEXKIUIYHEUGH-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 = 50359288   

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))	BDBM50359288 (CHEMBL1928383) Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.84E+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))	BDBM50359288 (CHEMBL1928383) Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.54E+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))	BDBM50359288 (CHEMBL1928383) Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.77E+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))	BDBM50359288 (CHEMBL1928383) Show SMILES CC(C)CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C18H21N3O4/c1-12(2)9-17(22)25-14-5-3-13(4-6-14)11-24-18(23)21-16-7-8-20-10-15(16)19/h3-8,10,12H,9,11,19H2,1-2H3,(H,20,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+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