BDBM50252265 CHEMBL1311140

SMILES: COc1ccccc1N=C(S)NCCN1CCOCC1

InChI Key: InChIKey=MBUVLBKEDXZGPL-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50252265   

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 (Homo sapiens (Human))	BDBM50252265 (CHEMBL1311140) Show SMILES COc1ccccc1N=C(S)NCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O2S/c1-18-13-5-3-2-4-12(13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293F cells using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50252265 (CHEMBL1311140) Show SMILES COc1ccccc1N=C(S)NCCN1CCOCC1 Show InChI InChI=1S/C14H21N3O2S/c1-18-13-5-3-2-4-12(13)16-14(20)15-6-7-17-8-10-19-11-9-17/h2-5H,6-11H2,1H3,(H2,15,16,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of AChE1 in Anopheles gambiae body extract using acetylthiocholine iodide as substrate measured over 60 secs by Ellman's method				Eur J Med Chem 134: 415-427 (2017) Article DOI: 10.1016/j.ejmech.2017.03.050 BindingDB Entry DOI: 10.7270/Q23X893Z
					More data for this Ligand-Target Pair