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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 243012   
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))
BDBM243012
PNG
(US9422277, 75)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
165 -39.4n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Varying concentrations of inhibitors at 3× the final desired concentration in a volume of 10 ul are preincubated with purified human BACE1 cata...


US Patent US9422277 (2016)


BindingDB Entry DOI: 10.7270/Q2VX0FFW
More data for this
Ligand-Target Pair
Beta-secretase 2


(Homo sapiens (Human))
BDBM243012
PNG
(US9422277, 75)
Show SMILES CN1C(=N)N[C@@](C)(CS1(=O)=O)c1sc(cc1Cl)-c1nnc(o1)-c1ccc(cn1)C(F)(F)F |r|
Show InChI InChI=1S/C17H14ClF3N6O3S2/c1-16(7-32(28,29)27(2)15(22)24-16)12-9(18)5-11(31-12)14-26-25-13(30-14)10-4-3-8(6-23-10)17(19,20)21/h3-6H,7H2,1-2H3,(H2,22,24)/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
303 -37.8n/an/an/an/an/a5.030



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Inhibitor compounds, prepared at 3× the desired final concentration in 1×BACE assay buffer (20 mM sodium acetate pH 5.0, 10% glycerol, 0....


US Patent US9422277 (2016)


BindingDB Entry DOI: 10.7270/Q2VX0FFW
More data for this
Ligand-Target Pair