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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM155092'   
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))
BDBM155092
PNG
(US9000182, 2, isomer 1)
Show SMILES CC(C)COc1ccc2C[C@@]3(CC[C@H](O)CC3)[C@@]3(N=C(C)C(N)=N3)c2c1
Show InChI InChI=1S/C21H29N3O2/c1-13(2)12-26-17-5-4-15-11-20(8-6-16(25)7-9-20)21(18(15)10-17)23-14(3)19(22)24-21/h4-5,10,13,16,25H,6-9,11-12H2,1-3H3,(H2,22,24)/t16-,20-,21-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/a2.5n/a



AstraZeneca AB

US Patent


Assay Description
The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human (3-Secretase (AA 1-AA 460) was clone...


US Patent US9000182 (2015)


BindingDB Entry DOI: 10.7270/Q2TH8KDP
More data for this
Ligand-Target Pair