null

SMILES: COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1

InChI Key: InChIKey=OBXCJDDMEPVENQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50458445   

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))	BDBM50458445 (CHEMBL4203672) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C39H43ClN4O3/c1-47-29-19-16-27(17-20-29)25-44-26-33(38(45)32-13-7-9-15-36(32)44)39(46)42-23-11-5-3-2-4-10-22-41-37-30-12-6-8-14-34(30)43-35-24-28(40)18-21-31(35)37/h7,9,13,15-21,24,26H,2-6,8,10-12,14,22-23,25H2,1H3,(H,41,43)(H,42,46)	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	119	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50458445 (CHEMBL4203672) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C39H43ClN4O3/c1-47-29-19-16-27(17-20-29)25-44-26-33(38(45)32-13-7-9-15-36(32)44)39(46)42-23-11-5-3-2-4-10-22-41-37-30-12-6-8-14-34(30)43-35-24-28(40)18-21-31(35)37/h7,9,13,15-21,24,26H,2-6,8,10-12,14,22-23,25H2,1H3,(H,41,43)(H,42,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Inhibition of human plasmatic BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 2...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50458445 (CHEMBL4203672) Show SMILES COc1ccc(Cn2cc(C(=O)NCCCCCCCCNc3c4CCCCc4nc4cc(Cl)ccc34)c(=O)c3ccccc23)cc1 Show InChI InChI=1S/C39H43ClN4O3/c1-47-29-19-16-27(17-20-29)25-44-26-33(38(45)32-13-7-9-15-36(32)44)39(46)42-23-11-5-3-2-4-10-22-41-37-30-12-6-8-14-34(30)43-35-24-28(40)18-21-31(35)37/h7,9,13,15-21,24,26H,2-6,8,10-12,14,22-23,25H2,1H3,(H,41,43)(H,42,46)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Defence Curated by ChEMBL					Assay Description Antagonist activity at human M1 mAChR expressed in CHO cells assessed as inhibition of oxotremorine M-stimulated calcium influx preincubated for 10 m...				Eur J Med Chem 150: 292-306 (2018) Article DOI: 10.1016/j.ejmech.2018.02.083 BindingDB Entry DOI: 10.7270/Q2W95CT0
					More data for this Ligand-Target Pair