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SMILES: COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1

InChI Key: InChIKey=BLFCZMABWGILKE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 120381   
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))		BDBM120381
PNG
(US8703785, 35)
Show SMILES COc1cnc(cn1)C(=O)Nc1cccc(c1)C1(C)CC(=O)N(C)C(N)=N1 |c:27|
Show InChI InChI=1S/C18H20N6O3/c1-18(8-15(25)24(2)17(19)23-18)11-5-4-6-12(7-11)22-16(26)13-9-21-14(27-3)10-20-13/h4-7,9-10H,8H2,1-3H3,(H2,19,23)(H,22,26)
PDB
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KEGG

UniProtKB/SwissProt

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Similars
US Patent
n/an/a 42n/an/an/an/a7.030



Shionogi & Co., Ltd.

US Patent


Assay Description
First, 48.5 μl portions of a solution of substrate peptide (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) we...

US Patent US8703785 (2014)


BindingDB Entry DOI: 10.7270/Q2MW2FSM
More data for this
Ligand-Target Pair