BDBM50256491 CHEMBL4084958

SMILES: CC(=O)C(Cc1ccc(O)cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=FWAGIKXJAJAPED-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 = 50256491   

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 (Tetronarce californica (Pacific electric ray) (Tor...)	BDBM50256491 (CHEMBL4084958) Show SMILES CC(=O)C(Cc1ccc(O)cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H31N3O3/c1-18(31)23(17-19-11-13-20(32)14-12-19)27(33)29-16-6-15-28-26-21-7-2-4-9-24(21)30-25-10-5-3-8-22(25)26/h2,4,7,9,11-14,23,32H,3,5-6,8,10,15-17H2,1H3,(H,28,30)(H,29,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, PR China; Jiangsu Province Hi-Tech Key Laboratory for Bio-medical Research, School of Chemistry and Chemica Curated by ChEMBL					Assay Description Inhibition of Torpedo californica AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at...				Bioorg Med Chem 25: 2387-2398 (2017) Article DOI: 10.1016/j.bmc.2017.02.049 BindingDB Entry DOI: 10.7270/Q2GQ717D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50256491 (CHEMBL4084958) Show SMILES CC(=O)C(Cc1ccc(O)cc1)C(=O)NCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C27H31N3O3/c1-18(31)23(17-19-11-13-20(32)14-12-19)27(33)29-16-6-15-28-26-21-7-2-4-9-24(21)30-25-10-5-3-8-22(25)26/h2,4,7,9,11-14,23,32H,3,5-6,8,10,15-17H2,1H3,(H,28,30)(H,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Department of Natural Medicinal Chemistry, China Pharmaceutical University, Nanjing 210009, PR China; Jiangsu Province Hi-Tech Key Laboratory for Bio-medical Research, School of Chemistry and Chemica Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured at 1 mi...				Bioorg Med Chem 25: 2387-2398 (2017) Article DOI: 10.1016/j.bmc.2017.02.049 BindingDB Entry DOI: 10.7270/Q2GQ717D
					More data for this Ligand-Target Pair