BDBM50456701 CHEMBL4218651

SMILES: Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1

InChI Key: InChIKey=AHQGXNOGLWRAMH-UHFFFAOYSA-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 = 50456701   

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))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	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))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.30	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))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-substrate-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Bu...				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))	BDBM50456701 (CHEMBL4218651) Show SMILES Clc1ccc(-[#7]-[#6](=[Se;v2])-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-c2c3-[#6]-[#6]-[#6]-[#6]-c3nc3ccccc23)cc1 Show InChI InChI=1S/C26H31ClN4Se/c27-19-13-15-20(16-14-19)30-26(32)29-18-8-2-1-7-17-28-25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25/h3,5,9,11,13-16H,1-2,4,6-8,10,12,17-18H2,(H,28,31)(H2,29,30,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Mixed-type inhibition of equine serum BuChE assessed as enzyme-inhibitor complex using p-nitrophenyl butyrate as substrate by Lineweaver-Burk plot an...				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