null

SMILES: COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1

InChI Key: InChIKey=VVKDAPKAJJSSNM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50133414   

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))	BDBM50133414 (CHEMBL3632849) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C34H45N3O4/c1-21-22(2)32-25(23(3)31(21)38)16-17-34(4,41-32)33(39)36-19-11-7-6-10-18-35-30-26-12-8-9-13-28(26)37-29-15-14-24(40-5)20-27(29)30/h14-15,20,38H,6-13,16-19H2,1-5H3,(H,35,37)(H,36,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...				J Med Chem 58: 8985-9003 (2015) BindingDB Entry DOI: 10.7270/Q29P33GZ
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50133414 (CHEMBL3632849) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C34H45N3O4/c1-21-22(2)32-25(23(3)31(21)38)16-17-34(4,41-32)33(39)36-19-11-7-6-10-18-35-30-26-12-8-9-13-28(26)37-29-15-14-24(40-5)20-27(29)30/h14-15,20,38H,6-13,16-19H2,1-5H3,(H,35,37)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE using acetylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 min...				J Med Chem 58: 8985-9003 (2015) BindingDB Entry DOI: 10.7270/Q29P33GZ
					More data for this Ligand-Target Pair