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SMILES: COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccccc1

InChI Key: InChIKey=PTAYSGKMHQTIBK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50398909   
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))		BDBM50398909
PNG
(CHEMBL2178751)
Show SMILES COc1ccc(cc1)-c1noc(C)c1C(=O)NC(N)=NCc1ccccc1 |w:19.21|
Show InChI InChI=1S/C20H20N4O3/c1-13-17(18(24-27-13)15-8-10-16(26-2)11-9-15)19(25)23-20(21)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H3,21,22,23,25)
PDB
MMDB

KEGG

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B.MOAD
antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research

Curated by ChEMBL


Assay Description
Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells

J Med Chem 55: 9208-23 (2012)


Article DOI: 10.1021/jm300931y
BindingDB Entry DOI: 10.7270/Q20G3M8M
More data for this
Ligand-Target Pair