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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 352246   
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))
BDBM352246
PNG
(US9802928, 1c)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
Show InChI InChI=1S/C22H22FN5O4S/c1-4-11-32-15-6-8-18(25-13-15)19(29)26-14-5-7-17(23)16(12-14)21(2)22(9-10-22)33(30,31)28(3)20(24)27-21/h1,5-8,12-13H,9-11H2,2-3H3,(H2,24,27)(H,26,29)/t21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
6n/an/an/an/an/an/an/an/a



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 US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM352246
PNG
(US9802928, 1c)
Show SMILES CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(OCC#C)cn3)ccc2F)C2(CC2)S1(=O)=O |r|
Show InChI InChI=1S/C22H22FN5O4S/c1-4-11-32-15-6-8-18(25-13-15)19(29)26-14-5-7-17(23)16(12-14)21(2)22(9-10-22)33(30,31)28(3)20(24)27-21/h1,5-8,12-13H,9-11H2,2-3H3,(H2,24,27)(H,26,29)/t21-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
95n/an/an/an/an/an/an/an/a



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 US9802928 (2017)


BindingDB Entry DOI: 10.7270/Q21Z46K6
More data for this
Ligand-Target Pair