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BDBM371582 (R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(1-methyl-1H-pyrazol-5-yl)-4-(trifluoromethyl)phenyl)chroman-7-sulfonamide::US10239869, Example 8

SMILES: Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F

InChI Key: InChIKey=DIIOLIAWCJDCHQ-GOSISDBHSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 371582   
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))
BDBM371582
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(1-methyl-1H-p...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/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))
BDBM371582
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(1-methyl-1H-p...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 24n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 (unknown origin) expressed in HEK293 cells assessed as reduction in veratridine-induced depolarization preincubated for 15 to 20...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM371582
PNG
((R)-N-(5-Fluoropyrimidin-2-yl)-4-(2-(1-methyl-1H-p...)
Show SMILES Cn1nccc1-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncc(F)cn1)C(F)(F)F
Show InChI InChI=1S/C24H19F4N5O3S/c1-33-21(6-8-31-33)20-10-14(24(26,27)28)2-4-17(20)18-7-9-36-22-11-16(3-5-19(18)22)37(34,35)32-23-29-12-15(25)13-30-23/h2-6,8,10-13,18H,7,9H2,1H3,(H,29,30,32)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a>1.00E+4n/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