BDBM50359284 CHEMBL1928379

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

InChI Key: InChIKey=KRHKMPRQYBUIPU-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 = 50359284   

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))	BDBM50359284 (CHEMBL1928379) Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	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))	BDBM50359284 (CHEMBL1928379) Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.09E+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))	BDBM50359284 (CHEMBL1928379) Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+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))	BDBM50359284 (CHEMBL1928379) Show SMILES CC(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C15H15N3O4/c1-10(19)22-12-4-2-11(3-5-12)9-21-15(20)18-14-6-7-17-8-13(14)16/h2-8H,9,16H2,1H3,(H,17,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+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