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BDBM371694 N-(5-fluoropyrimidin-2-yl)-4-(2-morpholino-4-(trifluoromethyl)phenyl)chroman-7-sulfonamide::US10239869, Example 120

SMILES: Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1

InChI Key: InChIKey=TUCOHLYYACEFAZ-GOSISDBHSA-N

Data: 3 IC50

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

Found 3 hits for monomerid = 371694   
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))
BDBM371694
PNG
(N-(5-fluoropyrimidin-2-yl)-4-(2-morpholino-4-(trif...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))
BDBM371694
PNG
(N-(5-fluoropyrimidin-2-yl)-4-(2-morpholino-4-(trif...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 12n/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))
BDBM371694
PNG
(N-(5-fluoropyrimidin-2-yl)-4-(2-morpholino-4-(trif...)
Show SMILES Fc1cnc(NS(=O)(=O)c2ccc3[C@H](CCOc3c2)c2ccc(cc2N2CCOCC2)C(F)(F)F)nc1 |r|
Show InChI InChI=1S/C24H22F4N4O4S/c25-16-13-29-23(30-14-16)31-37(33,34)17-2-4-20-18(5-8-36-22(20)12-17)19-3-1-15(24(26,27)28)11-21(19)32-6-9-35-10-7-32/h1-4,11-14,18H,5-10H2,(H,29,30,31)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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