BDBM50238213 CHEMBL4066548

SMILES: [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)C(=O)c2cc1OC

InChI Key: InChIKey=DMFFIHLWSWDUGK-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 = 50238213   

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))	BDBM50238213 (CHEMBL4066548) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H25ClNO4.BrH/c1-16(29)22-15-28(14-18-6-4-5-7-23(18)27)9-8-17(22)10-20-11-19-12-24(31-2)25(32-3)13-21(19)26(20)30;/h4-9,12-13,15,20H,10-11,14H2,1-3H3;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 Similars	Article PubMed	n/a	n/a	18	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
Cholinesterase (Equus caballus (Horse))	BDBM50238213 (CHEMBL4066548) Show SMILES [Br-].COc1cc2CC(Cc3cc[n+](Cc4ccccc4Cl)cc3C(C)=O)C(=O)c2cc1OC Show InChI InChI=1S/C26H25ClNO4.BrH/c1-16(29)22-15-28(14-18-6-4-5-7-23(18)27)9-8-17(22)10-20-11-19-12-24(31-2)25(32-3)13-21(19)26(20)30;/h4-9,12-13,15,20H,10-11,14H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+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