BDBM50187679 CHEMBL3827872

SMILES: [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1)c23

InChI Key: InChIKey=JWXKBCGJLCEZTJ-ZDUSSCGKSA-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 = 50187679   

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
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50187679 (CHEMBL3827872) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1)c23 |r| Show InChI InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.45E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of equine serum BChE preincubated for 15 mins followed by addition of S-butyrylthiocholine chloride as substrate measured after 30 mins by...				Bioorg Med Chem 24: 4464-4469 (2016) BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50187679 (CHEMBL3827872) Show SMILES [H][C@@]12Cc3cc4OCOc4cc3-c3c(OC)c(OC)cc(CCN1)c23 |r| Show InChI InChI=1S/C19H19NO4/c1-21-16-6-10-3-4-20-13-5-11-7-14-15(24-9-23-14)8-12(11)18(17(10)13)19(16)22-2/h6-8,13,20H,3-5,9H2,1-2H3/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Malaya Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 15 mins followed by addition of acetylthiocholine iodide as substrate measured after 30 mins by Ellm...				Bioorg Med Chem 24: 4464-4469 (2016) BindingDB Entry DOI: 10.7270/Q2MG7RFM
					More data for this Ligand-Target Pair