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SMILES: CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCCCC3)C2=O)C#N)CC[C@H]1OC

InChI Key: InChIKey=MSCFHZQTZHCGEH-SBVAYOBESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 389136   
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))		BDBM389136
PNG
(US9949975, Example 4)
Show SMILES CC[C@@H]1C[C@@]2(Cc3ccc(cc3[C@]22N=C(N)N(CC3(F)CCCCC3)C2=O)C#N)CC[C@H]1OC |r,t:15|
Show InChI InChI=1S/C27H35FN4O2/c1-3-19-14-25(12-9-22(19)34-2)15-20-8-7-18(16-29)13-21(20)27(25)23(33)32(24(30)31-27)17-26(28)10-5-4-6-11-26/h7-8,13,19,22H,3-6,9-12,14-15,17H2,1-2H3,(H2,30,31)/t19-,22-,25-,27-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute



Assay Description
Assay 1:The assay was performed in the presence of OptiMEM (supernatant collected over 24 h and cleared from cellular debris by centrifugation) conta...

J Med Chem 52: 336-46 (2009)


BindingDB Entry DOI: 10.7270/Q25D8V5X
More data for this
Ligand-Target Pair