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BDBM209920 US9273042, 9

SMILES: C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F

InChI Key: InChIKey=HTCUNHVVVKCMRI-RNZRUAGMNA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 209920   
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))
BDBM209920
PNG
(US9273042, 9)
Show SMILES C[C@]1(CS(=O)(=O)C2(CCCC2)C(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show InChI InChI=1/C22H22FN5O3S/c1-21(13-32(30,31)22(20(25)28-21)8-2-3-9-22)16-10-15(5-6-17(16)23)27-19(29)18-7-4-14(11-24)12-26-18/h4-7,10,12H,2-3,8-9,13H2,1H3,(H2,25,28)(H,27,29)/t21-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00100n/an/an/an/an/a37



Hoffmann-La Roche Inc

US Patent


Assay Description
The Abeta 40 AlphaLISA Assay can be used. The HEK293 APP cells were seeded in 96 well Microtiter plates in cell culture medium (Iscove's, plus 10% (v...


US Patent US9273042 (2016)


BindingDB Entry DOI: 10.7270/Q22Z14CV
More data for this
Ligand-Target Pair