BDBM50133416 CHEMBL3632851

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

InChI Key: InChIKey=CSLMOZNRVLKZJP-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 = 50133416   

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))	BDBM50133416 (CHEMBL3632851) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C36H49N3O4/c1-23-24(2)34-27(25(3)33(23)40)18-19-36(4,43-34)35(41)38-21-13-9-7-6-8-12-20-37-32-28-14-10-11-15-30(28)39-31-17-16-26(42-5)22-29(31)32/h16-17,22,40H,6-15,18-21H2,1-5H3,(H,37,39)(H,38,41)	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	1.53E+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 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))	BDBM50133416 (CHEMBL3632851) Show SMILES COc1ccc2nc3CCCCc3c(NCCCCCCCCNC(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)c2c1 Show InChI InChI=1S/C36H49N3O4/c1-23-24(2)34-27(25(3)33(23)40)18-19-36(4,43-34)35(41)38-21-13-9-7-6-8-12-20-37-32-28-14-10-11-15-30(28)39-31-17-16-26(42-5)22-29(31)32/h16-17,22,40H,6-15,18-21H2,1-5H3,(H,37,39)(H,38,41)	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	3.48E+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