BDBM50291631 CHEMBL4163016

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4nc5ccccc5o4)cc3C(N)=O)C(=O)c2cc1OC

InChI Key: InChIKey=GLTSFVAGZUAGAD-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50291631   

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))	BDBM50291631 (CHEMBL4163016) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4nc5ccccc5o4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H23N3O5.BrH/c1-32-22-11-16-10-17(25(30)18(16)12-23(22)33-2)9-15-7-8-29(13-19(15)26(27)31)14-24-28-20-5-3-4-6-21(20)34-24;/h3-8,11-13,17H,9-10,14H2,1-2H3,(H-,27,31);1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured every mi...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50291631 (CHEMBL4163016) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4nc5ccccc5o4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H23N3O5.BrH/c1-32-22-11-16-10-17(25(30)18(16)12-23(22)33-2)9-15-7-8-29(13-19(15)26(27)31)14-24-28-20-5-3-4-6-21(20)34-24;/h3-8,11-13,17H,9-10,14H2,1-2H3,(H-,27,31);1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ever...				Eur J Med Chem 145: 165-190 (2018) Article DOI: 10.1016/j.ejmech.2017.12.084 BindingDB Entry DOI: 10.7270/Q2FN18RR
					More data for this Ligand-Target Pair