BDBM50133413 CHEMBL3632848

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

InChI Key: InChIKey=UHRMTCOEBUUBLY-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 = 50133413   

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))	BDBM50133413 (CHEMBL3632848) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C33H43N3O4/c1-20-21(2)31-24(22(3)30(20)37)15-16-33(4,40-31)32(38)35-18-10-6-9-17-34-29-25-11-7-8-12-27(25)36-28-14-13-23(39-5)19-26(28)29/h13-14,19,37H,6-12,15-18H2,1-5H3,(H,34,36)(H,35,38)	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	400	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))	BDBM50133413 (CHEMBL3632848) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C33H43N3O4/c1-20-21(2)31-24(22(3)30(20)37)15-16-33(4,40-31)32(38)35-18-10-6-9-17-34-29-25-11-7-8-12-27(25)36-28-14-13-23(39-5)19-26(28)29/h13-14,19,37H,6-12,15-18H2,1-5H3,(H,34,36)(H,35,38)	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	1.33E+4	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