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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 228421   
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))
BDBM228421
PNG
(US9556135, 79)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2cccc3ccccc23)ccc1F
Show InChI InChI=1/C23H23FN2O2S2/c1-22(2)21(25)26-23(3,14-30(22,27)28)18-13-16(11-12-19(18)24)29-20-10-6-8-15-7-4-5-9-17(15)20/h4-13H,14H2,1-3H3,(H2,25,26)/t23-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 2.50E+3n/an/an/an/an/an/a



Amgen Inc

US Patent


Assay Description
Several animal models, including mouse, rat, dog, and monkey, may be used to screen for inhibition of beta-secretase activity in vivo following admin...


US Patent US9556135 (2017)


Article DOI: 10.1016/j.bmc.2004.10.042
BindingDB Entry DOI: 10.7270/Q2X0691F
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM228421
PNG
(US9556135, 79)
Show SMILES CC1(C)C(N)=N[C@@](C)(CS1(=O)=O)c1cc(Sc2cccc3ccccc23)ccc1F
Show InChI InChI=1/C23H23FN2O2S2/c1-22(2)21(25)26-23(3,14-30(22,27)28)18-13-16(11-12-19(18)24)29-20-10-6-8-15-7-4-5-9-17(15)20/h4-13H,14H2,1-3H3,(H2,25,26)/t23-/s2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 3.37E+4n/an/an/an/a3.5n/a



Amgen Inc

US Patent


Assay Description
Recombinant Cat D was expressed in CHO cells. The assay buffer for CathepsinD is 0.05 M citrate pH 3.5, 10% DMSO final, 5 mM CHAPS. The Cat D enzyme ...


US Patent US9556135 (2017)


Article DOI: 10.1016/j.bmc.2004.10.042
BindingDB Entry DOI: 10.7270/Q2X0691F
More data for this
Ligand-Target Pair