BDBM50384890 CHEMBL2036263

SMILES: SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12

InChI Key: InChIKey=KNYZLSNPSSAHIF-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 = 50384890   

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))	BDBM50384890 (CHEMBL2036263) Show SMILES SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H30ClN3OS/c23-16-9-10-18-20(15-16)26-19-8-4-3-7-17(19)22(18)25-13-6-2-1-5-12-24-21(27)11-14-28/h9-10,15,28H,1-8,11-14H2,(H,24,27)(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of equine serum butyrylcholine esterase using butyrylcholine chloride as substrate incubated for 5 mins prior to substrate addition measur...				J Med Chem 55: 3588-92 (2012) Article DOI: 10.1021/jm300124p BindingDB Entry DOI: 10.7270/Q2QJ7JBD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50384890 (CHEMBL2036263) Show SMILES SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12 Show InChI InChI=1S/C22H30ClN3OS/c23-16-9-10-18-20(15-16)26-19-8-4-3-7-17(19)22(18)25-13-6-2-1-5-12-24-21(27)11-14-28/h9-10,15,28H,1-8,11-14H2,(H,24,27)(H,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of electric eel acetylcholine esterase using acetylcholine chloride as substrate incubated for 5 mins prior to substrate addition measured...				J Med Chem 55: 3588-92 (2012) Article DOI: 10.1021/jm300124p BindingDB Entry DOI: 10.7270/Q2QJ7JBD
					More data for this Ligand-Target Pair