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BDBM149775 US8975415, RP56::US9242973, RP56

SMILES: CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1

InChI Key: InChIKey=FONNNDYVWDWHRD-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 = 149775   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM149775
PNG
(US8975415, RP56 | US9242973, RP56)
Show SMILES CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C21H19N3O3/c1-2-3-14-6-7-23-17(8-14)15-4-5-18-16(9-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24)
PDB
MMDB

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PC cid
PC sid
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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))
BDBM149775
PNG
(US8975415, RP56 | US9242973, RP56)
Show SMILES CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C21H19N3O3/c1-2-3-14-6-7-23-17(8-14)15-4-5-18-16(9-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24)
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))
BDBM149775
PNG
(US8975415, RP56 | US9242973, RP56)
Show SMILES CC#Cc1ccnc(c1)-c1ccc2OCC3(COC3)C3(COC(N)=N3)c2c1
Show InChI InChI=1/C21H19N3O3/c1-2-3-14-6-7-23-17(8-14)15-4-5-18-16(9-15)21(13-27-19(22)24-21)20(12-26-18)10-25-11-20/h4-9H,10-13H2,1H3,(H2,22,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 740n/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