BDBM50291439 CHEMBL4168987

SMILES: [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)CCc2c1

InChI Key: InChIKey=COEOOEKWISUIBD-UHFFFAOYSA-M

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 = 50291439   

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))	BDBM50291439 (CHEMBL4168987) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H28NO3.BrH/c1-18-5-4-6-20(13-18)16-28-12-11-22(26(17-28)19(2)29)14-23-8-7-21-15-24(31-3)9-10-25(21)27(23)30;/h4-6,9-13,15,17,23H,7-8,14,16H2,1-3H3;1H/q+1;/p-1	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	111	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))	BDBM50291439 (CHEMBL4168987) Show SMILES [Br-].COc1ccc2C(=O)C(Cc3cc[n+](Cc4cccc(C)c4)cc3C(C)=O)CCc2c1 Show InChI InChI=1S/C27H28NO3.BrH/c1-18-5-4-6-20(13-18)16-28-12-11-22(26(17-28)19(2)29)14-23-8-7-21-15-24(31-3)9-10-25(21)27(23)30;/h4-6,9-13,15,17,23H,7-8,14,16H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	596	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