BDBM50468699 CHEMBL4284495

SMILES: COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=CZMZUNUZUGWCRN-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50468699   

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))	BDBM50468699 (CHEMBL4284495) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29NO6/c1-30-23-14-20-21(28)15-25(33-22(20)16-24(23)31-2)26(29)32-13-10-18-8-11-27(12-9-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using varying levels of acetylthiocholine iodide as substrate by Lineweaver-burk plot ...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50468699 (CHEMBL4284495) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29NO6/c1-30-23-14-20-21(28)15-25(33-22(20)16-24(23)31-2)26(29)32-13-10-18-8-11-27(12-9-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50468699 (CHEMBL4284495) Show SMILES COc1cc2oc(cc(=O)c2cc1OC)C(=O)OCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C26H29NO6/c1-30-23-14-20-21(28)15-25(33-22(20)16-24(23)31-2)26(29)32-13-10-18-8-11-27(12-9-18)17-19-6-4-3-5-7-19/h3-7,14-16,18H,8-13,17H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Consejo Superior de Investigaciones Cient�ficas (IQM-CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate pretreated for 5 mins followed by substrate addition and measured for 5 mins by...				Eur J Med Chem 156: 534-553 (2018) Article DOI: 10.1016/j.ejmech.2018.07.026 BindingDB Entry DOI: 10.7270/Q2N300PH
					More data for this Ligand-Target Pair