BDBM50204661 CHEMBL3892394

SMILES: COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1

InChI Key: InChIKey=PGINPPCQVNOZSO-XMTFNYHQSA-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 = 50204661   

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))	BDBM50204661 (CHEMBL3892394) Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk plot method				Eur J Med Chem 123: 155-160 (2016) Article DOI: 10.1016/j.ejmech.2016.07.021 BindingDB Entry DOI: 10.7270/Q2C24ZD6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204661 (CHEMBL3892394) Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.31E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-inhibitor complex by Lineweaver-Burk plot method				Eur J Med Chem 123: 155-160 (2016) Article DOI: 10.1016/j.ejmech.2016.07.021 BindingDB Entry DOI: 10.7270/Q2C24ZD6
					More data for this Ligand-Target Pair
Alpha-mannosidase (Canavalia ensiformis)	BDBM50204661 (CHEMBL3892394) Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r| Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of jack bean alpha-mannosidase using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method				Eur J Med Chem 123: 155-160 (2016) Article DOI: 10.1016/j.ejmech.2016.07.021 BindingDB Entry DOI: 10.7270/Q2C24ZD6
					More data for this Ligand-Target Pair