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BDBM149800 US8975415, RP81::US9242973, RP81

SMILES: COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1

InChI Key: InChIKey=FODVISLDJAALAH-NTELJBMBNA-N

Data: 5 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 5 hits for monomerid = 149800   
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))
BDBM149800
PNG
(US8975415, RP81 | US9242973, RP81)
Show SMILES COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.89E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM149800
PNG
(US8975415, RP81 | US9242973, RP81)
Show SMILES COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/a25



CoMentis Inc

US Patent


Assay Description
The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were performed using an aut...


US Patent US8975415 (2015)


BindingDB Entry DOI: 10.7270/Q2SB44GN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM149800
PNG
(US8975415, RP81 | US9242973, RP81)
Show SMILES COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.00E+4n/an/an/an/an/an/a



CoMentis Inc

US Patent


Assay Description
Test Example 5: The hERG potassium current was measured in a hERG-stably-expressing Chinese hamster ovary K1 (CHO) cells. The experiments were perfor...


US Patent US9242973 (2016)


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


(Homo sapiens (Human))
BDBM149800
PNG
(US8975415, RP81 | US9242973, RP81)
Show SMILES COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 510n/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))
BDBM149800
PNG
(US8975415, RP81 | US9242973, RP81)
Show SMILES COc1cncc(c1)-c1ccc2O[C@H](C)C3(COC3)[C@]3(COC(N)=N3)c2c1
Show InChI InChI=1/C20H21N3O4/c1-12-19(9-25-10-19)20(11-26-18(21)23-20)16-6-13(3-4-17(16)27-12)14-5-15(24-2)8-22-7-14/h3-8,12H,9-11H2,1-2H3,(H2,21,23)/t12-,20+/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.89E+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