BDBM50202497 CHEMBL3982229

SMILES: CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C

InChI Key: InChIKey=DKHFUFLBGMLURW-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50202497   

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 (Mus musculus (mouse))	BDBM50202497 (CHEMBL3982229) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C Show InChI InChI=1S/C17H23N3OS/c1-12(11-17(2,3)4)10-14(21)18-16-20-19-15(22-16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Uncompetitive inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured up to 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50202497 (CHEMBL3982229) Show SMILES CC(CC(=O)Nc1nnc(s1)-c1ccccc1)CC(C)(C)C Show InChI InChI=1S/C17H23N3OS/c1-12(11-17(2,3)4)10-14(21)18-16-20-19-15(22-16)13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,18,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Inhibition of albino mouse brain AChE using acetylthiocholine iodide as substrate measured for 2 mins by Ellmans method				Eur J Med Chem 122: 557-573 (2016) Article DOI: 10.1016/j.ejmech.2016.06.046 BindingDB Entry DOI: 10.7270/Q23X88NQ
					More data for this Ligand-Target Pair