BDBM50160078 CHEMBL3787613

SMILES: CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1

InChI Key: InChIKey=UWWRFVZRXFROOL-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 = 50160078   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition mea...				J Med Chem 59: 2067-82 (2016) BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50160078 (CHEMBL3787613) Show SMILES CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1cccs1 Show InChI InChI=1S/C22H31N3O2S/c1-4-5-6-7-8-13-23-22(26)27-18-11-12-19-17(15-18)16-24(2)21(25(19)3)20-10-9-14-28-20/h9-12,14-15,21H,4-8,13,16H2,1-3H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Universit£t W£rzburg Curated by ChEMBL					Assay Description Inhibition of human butyrylcholinesterase using butyrylcholine iodide as substrate preincubated for 30 mins followed by substrate addition measured a...				J Med Chem 59: 2067-82 (2016) BindingDB Entry DOI: 10.7270/Q25H7J4D
					More data for this Ligand-Target Pair