BDBM50195813 CHEMBL3905695

SMILES: COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1

InChI Key: InChIKey=YCOGWPMXFGHUIP-FMIVXFBMSA-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 = 50195813   

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))	BDBM50195813 (CHEMBL3905695) Show SMILES COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C24H30N2O2/c1-28-23-10-7-20(8-11-23)9-12-24(27)25-16-13-21-14-17-26(18-15-21)19-22-5-3-2-4-6-22/h2-12,21H,13-19H2,1H3,(H,25,27)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured for ...				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50195813 (CHEMBL3905695) Show SMILES COc1ccc(\C=C\C(=O)NCCC2CCN(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C24H30N2O2/c1-28-23-10-7-20(8-11-23)9-12-24(27)25-16-13-21-14-17-26(18-15-21)19-22-5-3-2-4-6-22/h2-12,21H,13-19H2,1H3,(H,25,27)/b12-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured for 5 mins by E...				Eur J Med Chem 121: 376-386 (2016) Article DOI: 10.1016/j.ejmech.2016.05.055 BindingDB Entry DOI: 10.7270/Q2HX1FNV
					More data for this Ligand-Target Pair