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BDBM371788 4-(2-(3,3-difluoropropyl)-4-(trifluoromethyl)phenyl)-N-(pyridazin-3-yl)chroman-7-sulfonamide::US10239869, Example 214

SMILES: FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F

InChI Key: InChIKey=GNHZBRMVSAIOCC-GOSISDBHSA-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 = 371788   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM371788
PNG
(4-(2-(3,3-difluoropropyl)-4-(trifluoromethyl)pheny...)
Show SMILES FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F5N3O3S/c24-21(25)8-3-14-12-15(23(26,27)28)4-6-17(14)18-9-11-34-20-13-16(5-7-19(18)20)35(32,33)31-22-2-1-10-29-30-22/h1-2,4-7,10,12-13,18,21H,3,8-9,11H2,(H,30,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 635n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371788
PNG
(4-(2-(3,3-difluoropropyl)-4-(trifluoromethyl)pheny...)
Show SMILES FC(F)CCc1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1cccnn1)C(F)(F)F |r|
Show InChI InChI=1S/C23H20F5N3O3S/c24-21(25)8-3-14-12-15(23(26,27)28)4-6-17(14)18-9-11-34-20-13-16(5-7-19(18)20)35(32,33)31-22-2-1-10-29-30-22/h1-2,4-7,10,12-13,18,21H,3,8-9,11H2,(H,30,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/an/an/an/an/an/a



University of California at San Francisco



Assay Description
HEK-293 cells overexpressing the channel of interest were seeded in a 96-well plate at a density of 30000 cells/well and incubated at 37° C./5% CO2 f...


J Med Chem 51: 545-52 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4SZX
More data for this
Ligand-Target Pair