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SMILES: FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1

InChI Key: InChIKey=BHHALVLOZQTWNJ-MRXNPFEDSA-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 = 251226   
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))
BDBM251226
PNG
(US9452986, 530)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 911n/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))
BDBM251226
PNG
(US9452986, 530)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
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))
BDBM251226
PNG
(US9452986, 530)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.00E+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))
BDBM251226
PNG
(US9452986, 530)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)N[C@@H]2CCOC2=O)nc1
Show InChI InChI=1S/C20H14F3N3O4/c21-20(22,23)12-2-6-17(24-10-12)30-13-3-5-14-11(9-13)1-4-15(25-14)18(27)26-16-7-8-29-19(16)28/h1-6,9-10,16H,7-8H2,(H,26,27)/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 910n/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