BDBM50443028 CHEMBL3087815

SMILES: CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=LCVUXYUASXEIMC-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 50443028   

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))	BDBM50443028 (CHEMBL3087815) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant AChE using acetylthiocholine iodide as substrate by Ellman's method				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Mus musculus (mouse))	BDBM50443028 (CHEMBL3087815) Show SMILES CCN(CC)CCNS(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C13H19F3N2O2S/c1-3-18(4-2)9-8-17-21(19,20)12-7-5-6-11(10-12)13(14,15)16/h5-7,10,17H,3-4,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Binding affinity to mouse AChE by isothermal titration calorimetry				J Med Chem 56: 7615-24 (2013) Article DOI: 10.1021/jm400990p BindingDB Entry DOI: 10.7270/Q24M95Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)