BDBM50165344 CHEMBL3800453

SMILES: Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=HHLCROZHGUNHDB-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 = 50165344   

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
Beta amyloid A4 protein (Homo sapiens (Human))	BDBM50165344 (CHEMBL3800453) Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay				Eur J Med Chem 116: 200-209 (2016) BindingDB Entry DOI: 10.7270/Q2XK8HGC
					More data for this Ligand-Target Pair
Butyrylcholinesterase (BuChE) (Equus caballus (Horse))	BDBM50165344 (CHEMBL3800453) Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	344	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...				Eur J Med Chem 116: 200-209 (2016) BindingDB Entry DOI: 10.7270/Q2XK8HGC
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50165344 (CHEMBL3800453) Show SMILES Oc1ccc(cc1O)C(=O)OCC(=O)Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C22H20N2O5/c25-18-10-9-13(11-19(18)26)22(28)29-12-20(27)24-21-14-5-1-3-7-16(14)23-17-8-4-2-6-15(17)21/h1,3,5,7,9-11,25-26H,2,4,6,8,12H2,(H,23,24,27)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	133	n/a	n/a	n/a	n/a	n/a	n/a
Guangzhou Medical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine chloride as substrate preincubated for 20 mins followed by substrate addition by Ellman's met...				Eur J Med Chem 116: 200-209 (2016) BindingDB Entry DOI: 10.7270/Q2XK8HGC
					More data for this Ligand-Target Pair