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SMILES: C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F

InChI Key: InChIKey=VXSCRCDTZOWMAO-DLBZAZTESA-N

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 2 hits for monomerid = 234461   
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))
BDBM234461
PNG
(US10004738, 14 | US9353084, 14)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F |r,c:9|
Show InChI InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37n/an/an/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


J Med Chem 52: 6621-36 (2009)


BindingDB Entry DOI: 10.7270/Q2B85BGS
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM234461
PNG
(US10004738, 14 | US9353084, 14)
Show SMILES C[C@]1(F)CC(F)(F)[C@](C)(N=C1N)c1cc(NC(=O)c2nc(CF)co2)ccc1F |r,c:9|
Show InChI InChI=1S/C18H17F5N4O2/c1-16(21)8-18(22,23)17(2,27-15(16)24)11-5-9(3-4-12(11)20)25-13(28)14-26-10(6-19)7-29-14/h3-5,7H,6,8H2,1-2H3,(H2,24,27)(H,25,28)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
37n/an/an/an/an/an/a4.5n/a



H. Lundbeck A/S

US Patent


Assay Description
The binding assay was performed as SPA-based assay using a biotinylated form of human BACE1 recombinantly expressed and subsequently purified from Fr...


US Patent US9353084 (2016)


BindingDB Entry DOI: 10.7270/Q2MG7NDX
More data for this
Ligand-Target Pair