BDBM50056115 CHEMBL3326699

SMILES: COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1

InChI Key: InChIKey=BGDYVTQSRKFIJW-UHFFFAOYSA-N

Data: 2 KI

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 = 50056115   

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))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human BChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50056115 (CHEMBL3326699) Show SMILES COc1ccc2cc(C(=O)NCCCCCNc3c4CCCCc4nc4ccccc34)c(=O)oc2c1 Show InChI InChI=1S/C29H31N3O4/c1-35-20-14-13-19-17-23(29(34)36-26(19)18-20)28(33)31-16-8-2-7-15-30-27-21-9-3-5-11-24(21)32-25-12-6-4-10-22(25)27/h3,5,9,11,13-14,17-18H,2,4,6-8,10,12,15-16H2,1H3,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central China Normal University Curated by ChEMBL					Assay Description Inhibition of human AChE assessed as acetylthiocholine hydrolysis				Bioorg Med Chem 22: 4784-91 (2014) Article DOI: 10.1016/j.bmc.2014.06.057 BindingDB Entry DOI: 10.7270/Q27M09KB
					More data for this Ligand-Target Pair