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BDBM250959 US9452986, 263

SMILES: CC(C)[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1

InChI Key: InChIKey=XVBZCTDRLDACGG-FQEVSTJZSA-N

Data: 1 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 1 hit for monomerid = 250959   
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))
BDBM250959
PNG
(US9452986, 263)
Show SMILES CC(C)[C@@H]1CN(CCN1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H23F3N4O2/c1-14(2)20-13-30(10-9-27-20)22(31)19-6-3-15-11-17(5-7-18(15)29-19)32-21-8-4-16(12-28-21)23(24,25)26/h3-8,11-12,14,20,27H,9-10,13H2,1-2H3/t20-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 402n/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