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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 337546   
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 2


(Homo sapiens (Human))
BDBM337546
PNG
(US9745324, 15)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F
Show InChI InChI=1S/C18H23FN6O4S/c1-10-21-14(24-29-10)15(26)22-11-6-7-13(19)12(8-11)18(4)9-25(5)30(27,28)17(2,3)16(20)23-18/h6-8H,9H2,1-5H3,(H2,20,23)(H,22,26)/t18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
27n/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 US9745324 (2017)

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


(Homo sapiens (Human))
BDBM337546
PNG
(US9745324, 15)
Show SMILES CN1C[C@](C)(NC(=N)C(C)(C)S1(=O)=O)c1cc(NC(=O)c2noc(C)n2)ccc1F
Show InChI InChI=1S/C18H23FN6O4S/c1-10-21-14(24-29-10)15(26)22-11-6-7-13(19)12(8-11)18(4)9-25(5)30(27,28)17(2,3)16(20)23-18/h6-8H,9H2,1-5H3,(H2,20,23)(H,22,26)/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
153n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Reagents: Na+-Acetate pH 5.0; 1% Brij-35; Glycerol; Dimethyl Sulfoxide (DMSO); Recombinant human soluble BACE1 catalytic domain (>95% pure); APP Swed...


US Patent US9745324 (2017)

More data for this
Ligand-Target Pair