BDBM50464946 CHEMBL4283651

SMILES: O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=QVABANWNMXGOAK-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 = 50464946   

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
Cholinesterase (Homo sapiens (Human))	BDBM50464946 (CHEMBL4283651) Show SMILES O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H29N3O/c28-24(16-21-17-26-23-9-5-4-8-22(21)23)25-13-10-19-11-14-27(15-12-19)18-20-6-2-1-3-7-20/h1-9,17,19,26H,10-16,18H2,(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.870	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant human serum BuChE using butyrylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measure...				Eur J Med Chem 145: 431-444 (2018) Article DOI: 10.1016/j.ejmech.2018.01.007 BindingDB Entry DOI: 10.7270/Q2JQ13PD
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50464946 (CHEMBL4283651) Show SMILES O=C(Cc1c[nH]c2ccccc12)NCCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C24H29N3O/c28-24(16-21-17-26-23-9-5-4-8-22(21)23)25-13-10-19-11-14-27(15-12-19)18-20-6-2-1-3-7-20/h1-9,17,19,26H,10-16,18H2,(H,25,28)	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	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of S£o Paulo Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrate addition measured for 5 ...				Eur J Med Chem 145: 431-444 (2018) Article DOI: 10.1016/j.ejmech.2018.01.007 BindingDB Entry DOI: 10.7270/Q2JQ13PD
					More data for this Ligand-Target Pair