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SMILES: [#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@]1([#6])[#6]\[#6](-[#16]-[#6](-[#7])=[#7]1)=[#6](/[#6])-[#6]

InChI Key: InChIKey=KGOHZCKUSDEIQA-FQEVSTJZSA-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 = 116276   
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))
BDBM116276
PNG
(US8637504, 21 | US9273053, 21)
Show SMILES [#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@]1([#6])[#6]\[#6](-[#16]-[#6](-[#7])=[#7]1)=[#6](/[#6])-[#6] |r,c:26|
Show InChI InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/a5.0n/a



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...


US Patent US9273053 (2016)


BindingDB Entry DOI: 10.7270/Q24Q7SVG
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM116276
PNG
(US8637504, 21 | US9273053, 21)
Show SMILES [#6]-[#8]-c1cnc(cn1)-[#6](=O)-[#7]-c1ccc(F)c(c1)[C@]1([#6])[#6]\[#6](-[#16]-[#6](-[#7])=[#7]1)=[#6](/[#6])-[#6] |r,c:26|
Show InChI InChI=1S/C20H22FN5O2S/c1-11(2)16-8-20(3,26-19(22)29-16)13-7-12(5-6-14(13)21)25-18(27)15-9-24-17(28-4)10-23-15/h5-7,9-10H,8H2,1-4H3,(H2,22,26)(H,25,27)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 19n/an/an/an/a5.030



Shionogi & Co., Ltd.

US Patent


Assay Description
48.5 μL of substrate peptide solution (Biotin-XSEVNLDAEFRHDSGC-Eu: X=ε-amino-n-capronic acid, Eu=Europium cryptate) was added to each well ...


US Patent US8637504 (2014)


BindingDB Entry DOI: 10.7270/Q2DN43Q2
More data for this
Ligand-Target Pair