BDBM50246977 CHEMBL4077192

SMILES: O=C(NCC1CCCN(C1)C1Cc2ccccc2C1)c1cccc2ccccc12

InChI Key: InChIKey=UVZNMNZCTSODAE-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 = 50246977   

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))	BDBM50246977 (CHEMBL4077192) Show SMILES O=C(NCC1CCCN(C1)C1Cc2ccccc2C1)c1cccc2ccccc12 Show InChI InChI=1S/C26H28N2O/c29-26(25-13-5-11-20-8-3-4-12-24(20)25)27-17-19-7-6-14-28(18-19)23-15-21-9-1-2-10-22(21)16-23/h1-5,8-13,19,23H,6-7,14-18H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of recombinant human BChE using butyrylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured f...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM50246977 (CHEMBL4077192) Show SMILES O=C(NCC1CCCN(C1)C1Cc2ccccc2C1)c1cccc2ccccc12 Show InChI InChI=1S/C26H28N2O/c29-26(25-13-5-11-20-8-3-4-12-24(20)25)27-17-19-7-6-14-28(18-19)23-15-21-9-1-2-10-22(21)16-23/h1-5,8-13,19,23H,6-7,14-18H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of mouse AChE using acetylthiocholine iodide as substrate preincubated for 300 secs followed by substrate addition measured for 1 min by E...				J Med Chem 61: 119-139 (2018) Article DOI: 10.1021/acs.jmedchem.7b01086 BindingDB Entry DOI: 10.7270/Q2S75JRJ
					More data for this Ligand-Target Pair