BDBM50509705 CHEMBL4444030

SMILES: Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1

InChI Key: InChIKey=DVNIYUWNPGFHPL-KBVAKVRCSA-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 = 50509705   

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
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	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))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	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	1.11E+3	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50509705 (CHEMBL4444030) Show SMILES Cl.NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc(\C=N\Nc3c4CCCCc4nc4ccccc34)cc2)nn1 Show InChI InChI=1S/C29H27N7O3S/c30-40(37,38)24-15-11-22(12-16-24)36-18-21(33-35-36)19-39-23-13-9-20(10-14-23)17-31-34-29-25-5-1-3-7-27(25)32-28-8-4-2-6-26(28)29/h1,3,5,7,9-18H,2,4,6,8,19H2,(H,32,34)(H2,30,37,38)/b31-17+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	807	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