BDBM50477449 CHEMBL248339

SMILES: COc1cc(\C=C\c2cccc(\C=C\c3ccc(N4CCCC4)c(OC)c3)c2)ccc1N1CCCC1

InChI Key: InChIKey=ZLCLDUKWGSGWAV-DCIPZJNNSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50477449   

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
Amyloid-beta precursor protein (Homo sapiens (Human))	BDBM50477449 (CHEMBL248339) Show SMILES COc1cc(\C=C\c2cccc(\C=C\c3ccc(N4CCCC4)c(OC)c3)c2)ccc1N1CCCC1 Show InChI InChI=1S/C32H36N2O2/c1-35-31-23-27(14-16-29(31)33-18-3-4-19-33)12-10-25-8-7-9-26(22-25)11-13-28-15-17-30(32(24-28)36-2)34-20-5-6-21-34/h7-17,22-24H,3-6,18-21H2,1-2H3/b12-10+,13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Korea Institute of Science and Technology Curated by ChEMBL					Assay Description Inhibition of amyloid beta 42 fibril formation by thioflavin T assay				Bioorg Med Chem Lett 17: 1466-70 (2007) Article DOI: 10.1016/j.bmcl.2006.10.090 BindingDB Entry DOI: 10.7270/Q2PV6P4S
					More data for this Ligand-Target Pair