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BDBM371776 (R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl)phenyl)-N-(pyrimidin-2-yl)chroman-7-sulfonamide::US10239869, Example 202

SMILES: Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F

InChI Key: InChIKey=HVGAFMZYKBKANC-OAQYLSRUSA-N

Data: 6 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 6 hits for monomerid = 371776   
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))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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 5 subunit alpha


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
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
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 108n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Use-dependent inhibition of human Nav1.7 expressed in HEK293 cells at 25 pulse 10 Hz frequency at -120 mV holding potential by manual patch clamp ass...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of slow inactivation at 10 Hz frequency at -120 mV holding potential by single ...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 134n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as V1/2 of fast inactivation at 10 Hz frequency at -120 mV holding potential by single ...


J Med Chem 63: 6107-6133 (2020)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM371776
PNG
((R)-4-(2-(6-methylpyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Cc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F |r|
Show InChI InChI=1S/C26H21F3N4O3S/c1-16-3-4-17(15-32-16)23-13-18(26(27,28)29)5-7-20(23)21-9-12-36-24-14-19(6-8-22(21)24)37(34,35)33-25-30-10-2-11-31-25/h2-8,10-11,13-15,21H,9,12H2,1H3,(H,30,31,33)/t21-/m1/s1
PDB

KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.40n/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