BDBM50138429 CHEMBL3752926

SMILES: COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=DVCKLXBGJWQNDS-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50138429   

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))	BDBM50138429 (CHEMBL3752926) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H35N3O3/c1-35-26-17-11-12-21-20-27(36-29(21)26)30(34)32-19-10-4-2-3-9-18-31-28-22-13-5-7-15-24(22)33-25-16-8-6-14-23(25)28/h5,7,11-13,15,17,20H,2-4,6,8-10,14,16,18-19H2,1H3,(H,31,33)(H,32,34)	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	7.40	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's metho...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50138429 (CHEMBL3752926) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H35N3O3/c1-35-26-17-11-12-21-20-27(36-29(21)26)30(34)32-19-10-4-2-3-9-18-31-28-22-13-5-7-15-24(22)33-25-16-8-6-14-23(25)28/h5,7,11-13,15,17,20H,2-4,6,8-10,14,16,18-19H2,1H3,(H,31,33)(H,32,34)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition by Ellman's ...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50138429 (CHEMBL3752926) Show SMILES COc1cccc2cc(oc12)C(=O)NCCCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C30H35N3O3/c1-35-26-17-11-12-21-20-27(36-29(21)26)30(34)32-19-10-4-2-3-9-18-31-28-22-13-5-7-15-24(22)33-25-16-8-6-14-23(25)28/h5,7,11-13,15,17,20H,2-4,6,8-10,14,16,18-19H2,1H3,(H,31,33)(H,32,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of recombinant human BACE-1 using M-2420 as substrate preincubated for 1 hr followed by substrate addition measured after 15 mins by FRET ...				J Med Chem 59: 114-31 (2016) BindingDB Entry DOI: 10.7270/Q2S75J5X
					More data for this Ligand-Target Pair