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SMILES:

InChI Key: InChIKey=CQATWEDKZUQSBB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 113229   
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
Isoform C of Beta-secretase 1 (BACE-I-457)


(Homo sapiens (Human))
BDBM113229
PNG
(US8633212, 7)
Show InChI InChI=1S/C24H28ClN3O3/c1-28-22(26)27-24(31-28)21-12-15(17-10-18(25)13-20(11-17)30-3)4-5-16(21)14-23(24)8-6-19(29-2)7-9-23/h4-5,10-13,19H,6-9,14H2,1-3H3,(H2,26,27)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.90n/an/an/an/a4.525



Vitae Pharmaceuticals, Inc.; Boehringer Ingelheim International GmbH

US Patent


Assay Description
Inhibitory activity of compounds was assessed by a fluorescence quench assay of BACE activity. The assay was performed at room temperature in 96-well...


US Patent US8633212 (2014)


BindingDB Entry DOI: 10.7270/Q2V123D3
More data for this
Ligand-Target Pair