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SMILES: FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1

InChI Key: InChIKey=KJVYQCIXUQIREB-UHFFFAOYSA-N

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 4 hits for monomerid = 250877   
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM250877
PNG
(US9452986, 181)
Show SMILES FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.47E+3n/an/an/an/an/a37



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.7 were quickly thawed and plated at 25,000 cells/well ...


US Patent US9452986 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RQS
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM250877
PNG
(US9452986, 181)
Show SMILES FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM250877
PNG
(US9452986, 181)
Show SMILES FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.89E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9
More data for this
Ligand-Target Pair
Sodium channel protein type 7 subunit alpha


(Homo sapiens (Human))
BDBM250877
PNG
(US9452986, 181)
Show SMILES FC(F)(F)CN1CCN(CC1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C22H18F6N4O2/c23-21(24,25)13-31-7-9-32(10-8-31)20(33)18-4-1-14-11-16(3-5-17(14)30-18)34-19-6-2-15(12-29-19)22(26,27)28/h1-6,11-12H,7-10,13H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.48E+3n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.bmc.2022.116743
BindingDB Entry DOI: 10.7270/Q2BP06V9
More data for this
Ligand-Target Pair