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BDBM149912 US8975415, RP193::US9242973, RP193

SMILES: COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1

InChI Key: InChIKey=IPNOFVHQRLOFQU-UHFFFAOYNA-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 = 149912   
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))
BDBM149912
PNG
(US8975415, RP193 | US9242973, RP193)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.04E+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))
BDBM149912
PNG
(US8975415, RP193 | US9242973, RP193)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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))
BDBM149912
PNG
(US8975415, RP193 | US9242973, RP193)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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))
BDBM149912
PNG
(US8975415, RP193 | US9242973, RP193)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 81n/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))
BDBM149912
PNG
(US8975415, RP193 | US9242973, RP193)
Show SMILES COc1cnc(cn1)C(=O)Nc1ccc2OCC3(CC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C19H19N5O4/c1-26-15-8-21-13(7-22-15)16(25)23-11-2-3-14-12(6-11)19(10-28-17(20)24-19)18(4-5-18)9-27-14/h2-3,6-8H,4-5,9-10H2,1H3,(H2,20,24)(H,23,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.04E+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