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BDBM251129 US9452986, 433

SMILES: FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(C2)N2CCOCC2)nc1

InChI Key: InChIKey=SLCQBMKDJFRHSM-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 251129   
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))		BDBM251129
PNG
(US9452986, 433)
Show SMILES FC(F)(F)c1ccc(Oc2ccc3nc(ccc3c2)C(=O)NC2CC(C2)N2CCOCC2)nc1 |(-9.34,-3.85,;-8,-3.08,;-7.23,-4.41,;-8.77,-1.75,;-6.67,-2.31,;-5.33,-3.08,;-4,-2.31,;-4,-.77,;-2.67,,;-1.33,-.77,;-1.33,-2.31,;,-3.08,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;1.33,-.77,;;5.33,-3.08,;5.33,-4.62,;6.67,-2.31,;8,-3.08,;9.49,-2.68,;9.89,-4.17,;8.4,-4.57,;11.22,-4.94,;12.56,-4.17,;13.89,-4.94,;13.89,-6.48,;12.56,-7.25,;11.22,-6.48,;-5.33,,;-6.67,-.77,)|
Show InChI InChI=1S/C24H23F3N4O3/c25-24(26,27)16-2-6-22(28-14-16)34-19-3-5-20-15(11-19)1-4-21(30-20)23(32)29-17-12-18(13-17)31-7-9-33-10-8-31/h1-6,11,14,17-18H,7-10,12-13H2,(H,29,32)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 442n/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