BDBM50509714 CHEMBL4459154

SMILES: NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1

InChI Key: InChIKey=WJZURRJVYGWLGY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50509714   

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))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	792	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 10 mins by spectrophotometry based Ellman's method				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	307	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for 180 ...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50509714 (CHEMBL4459154) Show SMILES NS(=O)(=O)c1ccc(NC(=S)NNc2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H21N5O2S2/c21-29(26,27)14-11-9-13(10-12-14)22-20(28)25-24-19-15-5-1-3-7-17(15)23-18-8-4-2-6-16(18)19/h1,3,5,7,9-12H,2,4,6,8H2,(H,23,24)(H2,21,26,27)(H2,22,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	961	n/a	n/a	n/a	n/a	n/a	n/a
Alexandria University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pre-incubated for 20 mins before substrate addition and measured for...				Eur J Med Chem 167: 161-186 (2019) Article DOI: 10.1016/j.ejmech.2019.02.012
					More data for this Ligand-Target Pair