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BDBM230866 US10045974, 2::US9346797, 2

SMILES: NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1

InChI Key: InChIKey=YODJQLZHGBACFL-SFHVURJKSA-N

Data: 2 KI

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 = 230866   
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))
BDBM230866
PNG
(US10045974, 2 | US9346797, 2)
Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1
Show InChI InChI=1S/C18H14F6N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23n/an/an/an/an/an/an/an/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 US10045974 (2018)

More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM230866
PNG
(US10045974, 2 | US9346797, 2)
Show SMILES NC1=N[C@](C(F)F)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C(F)(F)CC1
Show InChI InChI=1S/C18H14F6N4O/c19-9-1-4-13(26-8-9)15(29)27-10-2-3-12(20)11(7-10)18(16(21)22)17(23,24)6-5-14(25)28-18/h1-4,7-8,16H,5-6H2,(H2,25,28)(H,27,29)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
23n/an/an/an/an/an/an/an/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 US9346797 (2016)


BindingDB Entry DOI: 10.7270/Q25T3JC4
More data for this
Ligand-Target Pair