BDBM50359287 CHEMBL1928382

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

InChI Key: InChIKey=YCZLCDRJZPTZOG-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 = 50359287   

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))	BDBM50359287 (CHEMBL1928382) Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90E+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 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))	BDBM50359287 (CHEMBL1928382) Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20E+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))	BDBM50359287 (CHEMBL1928382) Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(H,19,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	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))	BDBM50359287 (CHEMBL1928382) Show SMILES CC(C)C(=O)Oc1ccc(COC(=O)Nc2ccncc2N)cc1 Show InChI InChI=1S/C17H19N3O4/c1-11(2)16(21)24-13-5-3-12(4-6-13)10-23-17(22)20-15-7-8-19-9-14(15)18/h3-9,11H,10,18H2,1-2H3,(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	1.22E+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