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SMILES: Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F

InChI Key: InChIKey=HOESHHMMCCAKCR-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 = 234456   
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))
BDBM234456
PNG
(US10004738, 9 | US9353084, 9)
Show SMILES Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:21|
Show InChI InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
100n/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))
BDBM234456
PNG
(US10004738, 9 | US9353084, 9)
Show SMILES Cn1cc(Br)nc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@](C)(F)CC1(F)F |r,t:21|
Show InChI InChI=1S/C18H18BrF4N5O/c1-16(21)8-18(22,23)17(2,27-15(16)24)10-6-9(4-5-11(10)20)25-14(29)13-26-12(19)7-28(13)3/h4-7H,8H2,1-3H3,(H2,24,27)(H,25,29)/t16-,17+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
100n/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