BDBM50024895 CHEMBL3335047

SMILES: COc1cccc(CC2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1

InChI Key: InChIKey=RHYLMHYJQBEFDV-UHFFFAOYSA-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 = 50024895   

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))	BDBM50024895 (CHEMBL3335047) Show SMILES COc1cccc(CC2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C29H35NO4/c1-32-23-7-4-6-22(19-23)18-21-12-15-30(16-13-21)14-5-17-33-24-10-11-26-25-8-2-3-9-27(25)29(31)34-28(26)20-24/h4,6-7,10-11,19-21H,2-3,5,8-9,12-18H2,1H3	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	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50024895 (CHEMBL3335047) Show SMILES COc1cccc(CC2CCN(CCCOc3ccc4c5CCCCc5c(=O)oc4c3)CC2)c1 Show InChI InChI=1S/C29H35NO4/c1-32-23-7-4-6-22(19-23)18-21-12-15-30(16-13-21)14-5-17-33-24-10-11-26-25-8-2-3-9-27(25)29(31)34-28(26)20-24/h4,6-7,10-11,19-21H,2-3,5,8-9,12-18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Eastern Mediterranean University Curated by ChEMBL					Assay Description Inhibition of human recombinant BuChE using butyrylthiocholine iodide substrate incubated for 15 mins by spectrophotometry based Ellman's method				Bioorg Med Chem 22: 5141-54 (2014) Article DOI: 10.1016/j.bmc.2014.08.016 BindingDB Entry DOI: 10.7270/Q2WH2RKB
					More data for this Ligand-Target Pair