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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 259050   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-secretase 1


(Homo sapiens (Human))
BDBM259050
PNG
(US9499502, 9dw-a)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Show InChI InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.20 -50.2n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
A homogeneous time-resolved FRET assay can be used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. This assay mo...


US Patent US9499502 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FJJ
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM259050
PNG
(US9499502, 9dw-a)
Show SMILES C[C@]1(CS(=O)(=O)[C@@](C)(C2CCC2)C(=N)N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r|
Show InChI InChI=1S/C22H24ClFN4O3S/c1-21(12-32(30,31)22(2,20(25)28-21)13-4-3-5-13)16-10-15(7-8-17(16)24)27-19(29)18-9-6-14(23)11-26-18/h6-11,13H,3-5,12H2,1-2H3,(H2,25,28)(H,27,29)/t21-,22-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
<10<-46.4n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor IC50s at purified human autoBACE-2 are determined in a time-resolved endpoint proteolysis assay that measures hydrolysis of the QSY7-EISEVN...


US Patent US9499502 (2016)


BindingDB Entry DOI: 10.7270/Q2BV7FJJ
More data for this
Ligand-Target Pair