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BDBM371612 (R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl)phenyl)-N-(pyrimidin-2-yl)chromane-7-sulfonamide::US10239869, Example 36

SMILES: Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F

InChI Key: InChIKey=PJJRXLNEXFKPRZ-LJQANCHMSA-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 = 371612   
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))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
PubMed
n/an/a 2.28E+3n/an/an/an/an/an/a



Lupin Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 at resting state expressed in HEK293 cells at -120 mV holding potential by 10 Hz single pulse protocol based manual patch ...


J Med Chem 63: 6107-6133 (2020)

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


(Homo sapiens (Human))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 34n/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))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 16n/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))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 44n/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))
BDBM371612
PNG
((R)-4-(2-(6-Fluoropyridin-3-yl)-4-(trifluoromethyl...)
Show SMILES Fc1ccc(cn1)-c1cc(ccc1[C@H]1CCOc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
Show InChI InChI=1S/C25H18F4N4O3S/c26-23-7-2-15(14-32-23)21-12-16(25(27,28)29)3-5-18(21)19-8-11-36-22-13-17(4-6-20(19)22)37(34,35)33-24-30-9-1-10-31-24/h1-7,9-10,12-14,19H,8,11H2,(H,30,31,33)/t19-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 21n/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