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BDBM195074 US9212153, 133,Ex. 98

SMILES: COC1CCC2(CC1)Oc1ccc(OCC(F)(F)F)cc1C21N=C(N)N(C)C1=O

InChI Key: InChIKey=UJULVWISQZDCCY-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 195074   
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 (1-458 aa)


(Homo sapiens (Human))
BDBM195074
PNG
(US9212153, 133,Ex. 98)
Show SMILES COC1CCC2(CC1)Oc1ccc(OCC(F)(F)F)cc1C21N=C(N)N(C)C1=O
Show InChI InChI=1/C19H22F3N3O4/c1-25-15(26)19(24-16(25)23)13-9-12(28-10-18(20,21)22)3-4-14(13)29-17(19)7-5-11(27-2)6-8-17/h3-4,9,11H,5-8,10H2,1-2H3,(H2,23,24)
PDB
MMDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 38.5n/an/an/an/a4.4n/a



Vitae Pharmaceuticals Inc

US Patent


Assay Description
For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...


US Patent US9212153 (2015)


BindingDB Entry DOI: 10.7270/Q2J67FRJ
More data for this
Ligand-Target Pair