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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 230029   
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))
BDBM230029
PNG
(US9556135, 217)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:35|
Show InChI InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/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)


BindingDB Entry DOI: 10.7270/Q2X0691F
More data for this
Ligand-Target Pair
Cathepsin D


(Homo sapiens (Human))
BDBM230029
PNG
(US9556135, 217)
Show SMILES Cc1cc(OC(F)F)cnc1C(=O)Nc1ccc(F)c(c1)[C@]1(CF)CS(=O)(=O)C2(CC2)C(N)=N1 |r,c:35|
Show InChI InChI=1S/C21H20F4N4O4S/c1-11-6-13(33-19(24)25)8-27-16(11)17(30)28-12-2-3-15(23)14(7-12)20(9-22)10-34(31,32)21(4-5-21)18(26)29-20/h2-3,6-8,19H,4-5,9-10H2,1H3,(H2,26,29)(H,28,30)/t20-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.68E+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)


BindingDB Entry DOI: 10.7270/Q2X0691F
More data for this
Ligand-Target Pair