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BDBM154238 US9012443, 254

SMILES: COc1cc(ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F

InChI Key: InChIKey=UKSZNYSECWVKCS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 154238   
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))
BDBM154238
PNG
(US9012443, 254)
Show SMILES COc1cc(ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N5O3S/c1-31-17-9-13(20(21,22)23)2-4-16(17)19-15-5-3-14(8-12(15)10-26-27-19)32(29,30)28-18-6-7-24-11-25-18/h2-11H,1H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 5.26E+3n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology system...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM154238
PNG
(US9012443, 254)
Show SMILES COc1cc(ccc1-c1nncc2cc(ccc12)S(=O)(=O)Nc1ccncn1)C(F)(F)F
Show InChI InChI=1S/C20H14F3N5O3S/c1-31-17-9-13(20(21,22)23)2-4-16(17)19-15-5-3-14(8-12(15)10-26-27-19)32(29,30)28-18-6-7-24-11-25-18/h2-11H,1H3,(H,24,25,28)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 260n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
293 Cells stably transfected with either Nav 1.7 or Nav 1.5 were recorded in population patch-clamp mode with the IonWorks Quattro automated electrop...


US Patent US9012443 (2015)


BindingDB Entry DOI: 10.7270/Q2N0158J
More data for this
Ligand-Target Pair