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BDBM155152 US9000185, 8

SMILES: CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1

InChI Key: InChIKey=AGTQGRFUNIAYJX-VYNBAUGJSA-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 = 155152   
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))
BDBM155152
PNG
(US9000185, 8)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-13-19(28-12-9-16-3-4-16)6-5-17(20)14-22(23)10-7-18(27-2)8-11-22/h5-6,13,16,18H,3-4,7-12,14H2,1-2H3,(H2,24,26)/t18-,22-,23?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 0.800n/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))
BDBM155152
PNG
(US9000185, 8)
Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(OCCC4CC4)cc3C22N=C(C)C(N)=N2)CC1
Show InChI InChI=1S/C23H31N3O2/c1-15-21(24)26-23(25-15)20-13-19(28-12-9-16-3-4-16)6-5-17(20)14-22(23)10-7-18(27-2)8-11-22/h5-6,13,16,18H,3-4,7-12,14H2,1-2H3,(H2,24,26)/t18-,22-,23?
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca AB

US Patent


Assay Description
TR-FRET Assay: 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...


US Patent US9000185 (2015)


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