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SMILES: COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1

InChI Key: InChIKey=ALCMEGWPPBQUES-MHZLTWQESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50323211   
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
Beta-secretase 1


(Homo sapiens (Human))		BDBM50323211
PNG
(2,3-dihydro-6-methylginkgetin | CHEMBL1208905)
Show SMILES COc1cc2O[C@@H](CC(=O)c2c(O)c1C)c1ccc(OC)c(c1)-c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1 |r,wD:6.16,(21.01,-13.22,;19.68,-13.99,;19.68,-15.53,;21.02,-16.29,;21.03,-17.84,;22.36,-18.61,;22.37,-20.15,;21.02,-20.94,;19.68,-20.16,;18.34,-20.93,;19.68,-18.61,;18.35,-17.84,;17.02,-18.61,;18.35,-16.3,;17.02,-15.53,;23.7,-20.92,;25.03,-20.14,;26.35,-20.91,;26.36,-22.45,;27.7,-23.21,;29.03,-22.44,;25.03,-23.22,;23.7,-22.46,;25.04,-24.75,;23.7,-25.53,;22.37,-24.75,;23.71,-27.06,;25.04,-27.83,;25.03,-29.37,;26.37,-27.05,;26.36,-25.52,;27.68,-24.74,;29.02,-25.5,;29.02,-27.04,;27.7,-27.8,;27.69,-29.34,;30.34,-24.73,;31.68,-25.5,;33.01,-24.72,;33.01,-23.18,;34.34,-22.4,;31.66,-22.42,;30.34,-23.19,)|
Show InChI InChI=1S/C33H26O10/c1-15-25(41-3)14-28-31(32(15)39)23(38)13-27(42-28)17-6-9-24(40-2)19(10-17)29-20(35)11-21(36)30-22(37)12-26(43-33(29)30)16-4-7-18(34)8-5-16/h4-12,14,27,34-36,39H,13H2,1-3H3/t27-/m0/s1
PDB
MMDB

KEGG

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Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Shujitsu University

Curated by ChEMBL


Assay Description
Inhibition of BACE1 after 60 mins by FRET assay

Bioorg Med Chem Lett 20: 4558-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.021
BindingDB Entry DOI: 10.7270/Q2GT5P46
More data for this
Ligand-Target Pair