BDBM50377431 CHEMBL258744

SMILES: NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=LUDRRADCGGTCHH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50377431   

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
Cholinesterase (Equus caballus (Horse))	BDBM50377431 (CHEMBL258744) Show SMILES NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.7	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377431 (CHEMBL258744) Show SMILES NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69.5	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibition of electric eel AchE by Ellman's assay				Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50377431 (CHEMBL258744) Show SMILES NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universit£t Jena Curated by ChEMBL					Assay Description Inhibition of equine BChE by Ellman's assay				Bioorg Med Chem Lett 18: 2905-9 (2008) Article DOI: 10.1016/j.bmcl.2008.03.073 BindingDB Entry DOI: 10.7270/Q2M909KN
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50377431 (CHEMBL258744) Show SMILES NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C16H21N3/c17-10-5-11-18-16-12-6-1-3-8-14(12)19-15-9-4-2-7-13(15)16/h1,3,6,8H,2,4-5,7,9-11,17H2,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79.5	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of eel AChE using acetylthiocholine iodide as substrate after 5 mins by Ellman's method				J Med Chem 55: 4309-21 (2012) Article DOI: 10.1021/jm300106z BindingDB Entry DOI: 10.7270/Q21837N7
					More data for this Ligand-Target Pair