BDBM50456704 CHEMBL4208896

SMILES: N#CSCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=CGYJDWIDGOEQQA-UHFFFAOYSA-N

Data: 3 KI

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 = 50456704   

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))	BDBM50456704 (CHEMBL4208896) Show SMILES N#CSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H23N3S/c20-14-23-13-7-1-6-12-21-19-15-8-2-4-10-17(15)22-18-11-5-3-9-16(18)19/h2,4,8,10H,1,3,5-7,9,11-13H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456704 (CHEMBL4208896) Show SMILES N#CSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H23N3S/c20-14-23-13-7-1-6-12-21-19-15-8-2-4-10-17(15)22-18-11-5-3-9-16(18)19/h2,4,8,10H,1,3,5-7,9,11-13H2,(H,21,22)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Non-competitive inhibition of electric eel AChE assessed as enzyme-inhibitor complex using p-nitrophenyl acetate as substrate by Lineweaver-Burk plot...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456704 (CHEMBL4208896) Show SMILES N#CSCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C19H23N3S/c20-14-23-13-7-1-6-12-21-19-15-8-2-4-10-17(15)22-18-11-5-3-9-16(18)19/h2,4,8,10H,1,3,5-7,9,11-13H2,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	228	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Competitive inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot a...				Eur J Med Chem 138: 761-773 (2017) Article DOI: 10.1016/j.ejmech.2017.06.048 BindingDB Entry DOI: 10.7270/Q2CV4MCJ
					More data for this Ligand-Target Pair