BindingDB logo
myBDB logout

BDBM149853 US8975415, RP134::US9242973, RP134

SMILES: NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N

InChI Key: InChIKey=MBTSGUSQJYKBNL-UHFFFAOYNA-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 = 149853   
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))
BDBM149853
PNG
(US8975415, RP134 | US9242973, RP134)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N
Show InChI InChI=1/C23H20FN3O3/c24-18-4-2-14(8-16(18)10-25)15-3-5-19-17(9-15)23(13-29-20(26)27-23)21(11-28-12-21)22(30-19)6-1-7-22/h2-5,8-9H,1,6-7,11-13H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.63E+3n/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
Beta-secretase 1


(Homo sapiens (Human))
BDBM149853
PNG
(US8975415, RP134 | US9242973, RP134)
Show SMILES NC1=NC2(CO1)c1cc(ccc1OC1(CCC1)C21COC1)-c1ccc(F)c(c1)C#N
Show InChI InChI=1/C23H20FN3O3/c24-18-4-2-14(8-16(18)10-25)15-3-5-19-17(9-15)23(13-29-20(26)27-23)21(11-28-12-21)22(30-19)6-1-7-22/h2-5,8-9H,1,6-7,11-13H2,(H2,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.63E+3n/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