BDBM50204663 CHEMBL3894489

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1

InChI Key: InChIKey=JPJTZHGCGLRVGF-YYIAUSFCSA-N

Data: 4 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 4 hits for monomerid = 50204663   

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))	BDBM50204663 (CHEMBL3894489) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r| Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.80E+3	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204663 (CHEMBL3894489) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r| Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.12E+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
Alpha-mannosidase (Canavalia ensiformis)	BDBM50204663 (CHEMBL3894489) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r| Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.90E+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 Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-substrate-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substr...				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)	BDBM50204663 (CHEMBL3894489) Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r| Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.90E+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 Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substrate by Lin...				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