BDBM50138326 CHEMBL3753850

SMILES: COc1cccc2cc(oc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=WWRDYDFXVYAZAG-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 = 50138326   

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))	BDBM50138326 (CHEMBL3753850) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H33N3O3/c1-34-25-16-10-11-20-19-26(35-28(20)25)29(33)31-18-9-3-2-8-17-30-27-21-12-4-6-14-23(21)32-24-15-7-5-13-22(24)27/h4,6,10-12,14,16,19H,2-3,5,7-9,13,15,17-18H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50138326 (CHEMBL3753850) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C29H33N3O3/c1-34-25-16-10-11-20-19-26(35-28(20)25)29(33)31-18-9-3-2-8-17-30-27-21-12-4-6-14-23(21)32-24-15-7-5-13-22(24)27/h4,6,10-12,14,16,19H,2-3,5,7-9,13,15,17-18H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair