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SMILES: CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(F)c2)C[C@H]1C

InChI Key: InChIKey=LRKONDKPAUBJIK-KOSOGBMQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 210888   
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 [1-454]


(Homo sapiens (Human))		BDBM210888
PNG
(US9290477, 6)
Show SMILES CO[C@@H]1[C@@H](C)C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(F)c2)C[C@H]1C |r,c:21,t:17|
Show InChI InChI=1S/C25H29FN4O/c1-14-9-24(10-15(2)22(14)31-4)11-18-6-5-17(19-7-20(26)13-28-12-19)8-21(18)25(24)29-16(3)23(27)30-25/h5-8,12-15,22H,9-11H2,1-4H3,(H2,27,30)/t14-,15+,22+,24+,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/a4.4n/a



Vitae Pharmaceuticals, Inc.

US Patent


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

US Patent US9290477 (2016)


BindingDB Entry DOI: 10.7270/Q2C82853
More data for this
Ligand-Target Pair