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BDBM251069 US9452986, 373

SMILES: CC1(C)OC2CN(CC2O1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1

InChI Key: InChIKey=DHGBZTVUDBZYDW-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 251069   
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))
BDBM251069
PNG
(US9452986, 373)
Show SMILES CC1(C)OC2CN(CC2O1)C(=O)c1ccc2cc(Oc3ccc(cn3)C(F)(F)F)ccc2n1
Show InChI InChI=1S/C23H20F3N3O4/c1-22(2)32-18-11-29(12-19(18)33-22)21(30)17-6-3-13-9-15(5-7-16(13)28-17)31-20-8-4-14(10-27-20)23(24,25)26/h3-10,18-19H,11-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 3.70E+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