BDBM50024896 CHEMBL3335046

SMILES: O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12

InChI Key: InChIKey=MJJPABBWHSSTTI-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 = 50024896   

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
Cholinesterases (Homo sapiens (Human))	BDBM50024896 (CHEMBL3335046) Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12 Show InChI InChI=1S/C28H33NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-3,7-8,11-12,20,22H,4-6,9-10,13-19H2	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50024896 (CHEMBL3335046) Show SMILES O=c1oc2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc2c2CCCCc12 Show InChI InChI=1S/C28H33NO3/c30-28-26-10-5-4-9-24(26)25-12-11-23(20-27(25)32-28)31-18-6-15-29-16-13-22(14-17-29)19-21-7-2-1-3-8-21/h1-3,7-8,11-12,20,22H,4-6,9-10,13-19H2	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	4.30E+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