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BDBM155145 US9000185, 2

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1

InChI Key: InChIKey=MBVITGGTLKHHQT-DOQZHRMPSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 155145   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta amyloid A4 protein


(Homo sapiens (human))
BDBM155145
PNG
(US9000185, 2)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C23H29F2N3O2/c1-14-20(26)28-23(27-14)19-9-18(30-13-15-10-22(24,25)11-15)4-3-16(19)12-21(23)7-5-17(29-2)6-8-21/h3-4,9,15,17H,5-8,10-13H2,1-2H3,(H2,26,28)/t17-,21-,23?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 8.40n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS and 1% non-essential amino acids and cryopreserved and stored at -140 C. at a concent...


US Patent US9000185 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51QT
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM155145
PNG
(US9000185, 2)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC(F)(F)C4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C23H29F2N3O2/c1-14-20(26)28-23(27-14)19-9-18(30-13-15-10-22(24,25)11-15)4-3-16(19)12-21(23)7-5-17(29-2)6-8-21/h3-4,9,15,17H,5-8,10-13H2,1-2H3,(H2,26,28)/t17-,21-,23?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 50n/an/an/an/an/an/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 beta -Secretase (AA 1-AA 460) was cl...


US Patent US9000185 (2015)


BindingDB Entry DOI: 10.7270/Q2FB51QT
More data for this
Ligand-Target Pair