BDBM50464944 CHEMBL4285818

SMILES: Brc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1

InChI Key: InChIKey=ZYRSYRWGMJCJBA-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 = 50464944   

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))	BDBM50464944 (CHEMBL4285818) Show SMILES Brc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C24H28BrN3O/c25-21-6-7-23-22(15-21)20(16-27-23)14-24(29)26-11-8-18-9-12-28(13-10-18)17-19-4-2-1-3-5-19/h1-7,15-16,18,27H,8-14,17H2,(H,26,29)	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	1.41E+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
Cholinesterase (Homo sapiens (Human))	BDBM50464944 (CHEMBL4285818) Show SMILES Brc1ccc2[nH]cc(CC(=O)NCCC3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C24H28BrN3O/c25-21-6-7-23-22(15-21)20(16-27-23)14-24(29)26-11-8-18-9-12-28(13-10-18)17-19-4-2-1-3-5-19/h1-7,15-16,18,27H,8-14,17H2,(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.680	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