BDBM50238216 CHEMBL4095535

SMILES: [Br-].COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O

InChI Key: InChIKey=SKRBTKGOMBZKFY-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 = 50238216   

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))	BDBM50238216 (CHEMBL4095535) Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O Show InChI InChI=1S/C27H28NO5.BrH/c1-17-7-5-6-8-19(17)15-28-10-9-18(23(16-28)27(30)33-4)11-21-12-20-13-24(31-2)25(32-3)14-22(20)26(21)29;/h5-10,13-14,16,21H,11-12,15H2,1-4H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+3	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...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50238216 (CHEMBL4095535) Show SMILES [Br-].COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O Show InChI InChI=1S/C27H28NO5.BrH/c1-17-7-5-6-8-19(17)15-28-10-9-18(23(16-28)27(30)33-4)11-21-12-20-13-24(31-2)25(32-3)14-22(20)26(21)29;/h5-10,13-14,16,21H,11-12,15H2,1-4H3;1H/q+1;/p-1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
VFP Therapies Curated by ChEMBL					Assay Description Inhibition of AChE in human erythrocytes using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured ...				J Med Chem 60: 5909-5926 (2017) Article DOI: 10.1021/acs.jmedchem.7b00702 BindingDB Entry DOI: 10.7270/Q22V2JC5
					More data for this Ligand-Target Pair