BDBM50359293 CHEMBL1928397

SMILES: CC(C)OC(=O)CCC(=O)Nc1ccncc1N

InChI Key: InChIKey=BRVBUPSYMIJBAM-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 = 50359293   

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))	BDBM50359293 (CHEMBL1928397) Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+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))	BDBM50359293 (CHEMBL1928397) Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	6.20E+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))	BDBM50359293 (CHEMBL1928397) Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.83E+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))	BDBM50359293 (CHEMBL1928397) Show SMILES CC(C)OC(=O)CCC(=O)Nc1ccncc1N Show InChI InChI=1S/C12H17N3O3/c1-8(2)18-12(17)4-3-11(16)15-10-5-6-14-7-9(10)13/h5-8H,3-4,13H2,1-2H3,(H,14,15,16)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.74E+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