BDBM50252257 CHEMBL4092186

SMILES: COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl

InChI Key: InChIKey=GIWMAITYUJGWGK-UHFFFAOYSA-N

Data: 4 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 = 50252257   

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 (Anopheles gambiae)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 head 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
Acetylcholinesterase (Anopheles gambiae)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Ume£ University Curated by ChEMBL					Assay Description Inhibition of recombinant full length Anopheles gambiae AChE1 expressed in baculovirus-infected Sf9 insect cells using acetylthiocholine iodide as su...				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)	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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 head 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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50252257 (CHEMBL4092186) Show SMILES COc1ccc(NC(=S)NCCN2CCOCC2)cc1Cl Show InChI InChI=1S/C14H20ClN3O2S/c1-19-13-3-2-11(10-12(13)15)17-14(21)16-4-5-18-6-8-20-9-7-18/h2-3,10H,4-9H2,1H3,(H2,16,17,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	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