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SMILES: CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O

InChI Key: InChIKey=NFQQEWLVDJRZJJ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50300227   
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))		BDBM50300227
PNG
((2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidaz...)
Show SMILES CC1(C)N=C(N)N(Cc2cccc(Cl)c2)C1=O |t:3|
Show InChI InChI=1S/C12H14ClN3O/c1-12(2)10(17)16(11(14)15-12)7-8-4-3-5-9(13)6-8/h3-6H,7H2,1-2H3,(H2,14,15)
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Article
PubMed
n/an/an/a 200n/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of BACE1 by fragment-based NMR screening method

J Med Chem 53: 951-65 (2010)


Article DOI: 10.1021/jm901408p
BindingDB Entry DOI: 10.7270/Q26W9B4S
More data for this
Ligand-Target Pair