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SMILES: F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F

InChI Key: InChIKey=XCKOJHQDQVQSMM-INIZCTEOSA-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 = 344752   
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))
BDBM344752
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.08E+3n/an/an/an/an/an/a



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 US9783527 (2017)


BindingDB Entry DOI: 10.7270/Q2S184MV
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM344752
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells by whole cell-patch clamp method


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM344752
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of recombinant human Nav1.7 expressed in HEK293F cells preincubated for 40 mins followed by DiSBAC2 substrate addition measured after 90 m...


J Med Chem 59: 3373-91 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00063
BindingDB Entry DOI: 10.7270/Q2C250GW
More data for this
Ligand-Target Pair
Sodium channel protein type 10 subunit alpha


(Homo sapiens (Human))
BDBM344752
PNG
(1-[1-(2-fluorophenyl)-1H-indazol-4-yl]-3-{2-[(3S)-...)
Show SMILES F[C@H]1CCCN(C1)C(=O)CN1CCN(C1=O)c1cccc2n(ncc12)-c1ccccc1F
Show InChI InChI=1S/C23H23F2N5O2/c24-16-5-4-10-27(14-16)22(31)15-28-11-12-29(23(28)32)19-8-3-9-20-17(19)13-26-30(20)21-7-2-1-6-18(21)25/h1-3,6-9,13,16H,4-5,10-12,14-15H2/t16-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.43E+3n/an/an/an/an/an/a



AbbVie Inc.

US Patent


Assay Description
Two days prior to the experiment, frozen HEK293 cells stably expressing recombinant human Nav1.8 (Essen, Ann Arbor, Mich.) were quickly thawed and pl...


US Patent US9783527 (2017)


BindingDB Entry DOI: 10.7270/Q2S184MV
More data for this
Ligand-Target Pair