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BDBM149859 US8975415, RP140::US9242973, RP140

SMILES: CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1

InChI Key: InChIKey=UKEAETWEXZCSQW-UHFFFAOYNA-N

Data: 3 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 3 hits for monomerid = 149859   
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-secretase 1


(Homo sapiens (Human))
BDBM149859
PNG
(US8975415, RP140 | US9242973, RP140)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1
Show InChI InChI=1/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 389n/an/an/an/an/an/a



CoMentis, Inc.

US Patent


Assay Description
Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were perfo...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149859
PNG
(US8975415, RP140 | US9242973, RP140)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1
Show InChI InChI=1/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 410n/an/an/an/an/a37



COMENTIS, INC.

US Patent


Assay Description
Test Example 3: The potency of compounds against BACE1 activity was determined in a cellular assay of Aβ production. Human SK-N-BE(2) neuroblas...


US Patent US9242973 (2016)


BindingDB Entry DOI: 10.7270/Q29W0D9C
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM149859
PNG
(US8975415, RP140 | US9242973, RP140)
Show SMILES CC1(C)Oc2ccc(cc2C2(COC(N)=N2)C11COC1)-c1cccc(c1)C1CC1
Show InChI InChI=1/C24H26N2O3/c1-22(2)23(12-27-13-23)24(14-28-21(25)26-24)19-11-18(8-9-20(19)29-22)17-5-3-4-16(10-17)15-6-7-15/h3-5,8-11,15H,6-7,12-14H2,1-2H3,(H2,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 389n/an/an/an/a4.425



COMENTIS, INC.

US Patent


Assay Description
Test Example 1: Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experi...


US Patent US9242973 (2016)


BindingDB Entry DOI: 10.7270/Q29W0D9C
More data for this
Ligand-Target Pair