BDBM50291580 CHEMBL4170940

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)n4)cc3C(N)=O)C(=O)c2cc1OC

InChI Key: InChIKey=CYPUOEMJUDFMRB-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 = 50291580   

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 (Homo sapiens (Human))	BDBM50291580 (CHEMBL4170940) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)n4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C25H25N3O4.BrH/c1-15-5-4-6-19(27-15)13-28-8-7-16(21(14-28)25(26)30)9-18-10-17-11-22(31-2)23(32-3)12-20(17)24(18)29;/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H-,26,30);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	1.86E+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
Cholinesterase (Equus caballus (Horse))	BDBM50291580 (CHEMBL4170940) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4cccc(C)n4)cc3C(N)=O)C(=O)c2cc1OC Show InChI InChI=1S/C25H25N3O4.BrH/c1-15-5-4-6-19(27-15)13-28-8-7-16(21(14-28)25(26)30)9-18-10-17-11-22(31-2)23(32-3)12-20(17)24(18)29;/h4-8,11-12,14,18H,9-10,13H2,1-3H3,(H-,26,30);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