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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta amyloid A4 protein' and Ligand = 'BDBM200301'   
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 amyloid A4 protein


(Homo sapiens (Human))
BDBM200301
PNG
(US9226927, 4)
Show SMILES Fc1ccc(F)c2c1OCC1[C@H](CCS(=O)(=O)CCn3cccn3)OCC[C@@]21S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClF2N2O6S2/c26-17-2-4-18(5-3-17)38(33,34)25-9-13-35-22(8-14-37(31,32)15-12-30-11-1-10-29-30)19(25)16-36-24-21(28)7-6-20(27)23(24)25/h1-7,10-11,19,22H,8-9,12-16H2/t19?,22-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/an/an/an/a7.037



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
To measure γ-secretase activity, membranes were incubated at 37 C. for 1 h in 50 μL of buffer containing 20 mM Hepes (pH 7.0) and 2 mM EDT...


US Patent US9226927 (2016)


BindingDB Entry DOI: 10.7270/Q24J0CX1
More data for this
Ligand-Target Pair