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BDBM50522700 CHEMBL3589106

SMILES: COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1

InChI Key: InChIKey=KQVQZFVRSOIPIV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50522700   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Amyloid-beta precursor protein


(Homo sapiens (Human))		BDBM50522700
PNG
(CHEMBL3589106)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(OC)c(-c3c(OC)cc(O)c4c3oc(cc4=O)-c3ccc(OC)cc3)c2o1 |(-8,5.12,;-8.01,3.89,;-6.68,3.1,;-6.69,1.56,;-5.36,.78,;-4.02,1.54,;-4.01,3.09,;-5.34,3.87,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-2.77,;,-.77,;1.33,-1.54,;1.33,-2.77,;2.66,-.77,;2.66,.77,;4,1.54,;5.07,.92,;1.33,1.54,;1.33,3.08,;-0,3.85,;-1.34,3.08,;-2.41,3.69,;-0,5.39,;1.33,6.16,;1.33,7.39,;2.66,5.39,;2.66,3.85,;4,3.09,;5.35,3.86,;5.34,5.4,;3.99,6.16,;3.99,7.4,;6.68,3.08,;8.02,3.85,;9.35,3.07,;9.34,1.53,;10.67,.75,;10.67,-.48,;8,.77,;6.67,1.54,;,.77,;-1.33,1.54,)|
Show InChI InChI=1S/C34H26O10/c1-39-19-9-5-17(6-10-19)25-13-21(35)29-23(37)15-27(41-3)31(33(29)43-25)32-28(42-4)16-24(38)30-22(36)14-26(44-34(30)32)18-7-11-20(40-2)12-8-18/h5-16,37-38H,1-4H3
PDB
MMDB

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PC cid
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n/an/a>5.00E+4n/an/an/an/an/an/a



Meiji Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human amyloid beta (1 to 40) assessed as reduction in aggregation measured after 24 hrs by ThT fluorescence assay

Bioorg Med Chem Lett 29: 1994-1997 (2019)


Article DOI: 10.1016/j.bmcl.2019.05.020
More data for this
Ligand-Target Pair