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BDBM329203 4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridin-3-yl)-2-Fluoro-5-Methoxy-N-(Methylsulfonyl)Benzamide::4-(5-chloro-6-(2,5-difluorophenoxy)-3-pyridinyl)-2-fluoro-5-methoxy-N-(methylsulfonyl)benzamide::US9663508, Example 705

SMILES: COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1

InChI Key: InChIKey=PPKNTGHPZNLOFG-UHFFFAOYSA-N

Data: 1 KI  29 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 30 hits for monomerid = 329203   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
KEGG

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>3.00E+4n/an/an/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells after 45 mins by scintillation counting analysis


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 69n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 4.96E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human microsomes using diclofenac as substrate incubated with enzyme and NADPH prior to substrate addition by LC-MS/MS analys...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 270n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 in C57BL/6 mouse DRG neurons assessed as reduction in native TTX-S current amplitude by manual patch clamp electrophysiology ass...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.33E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human BSEP in plasma membrane vesicles after 10 mins in presence of [3H]-taurocholate by topcount based transport assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells incubated for 3 to 5 mins at -50 mV holding potential by electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human microsomes using midazolam as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NAD...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human microsomes using midazolam as substrate preincubated with enzyme and NADPH prior to substrate addition by LC-MS/MS anal...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human microsomes using dextromethorphan as substrate incubated with enzyme and NADPH prior to substrate addition by LC-MS/MS ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 51n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 8.50E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.1 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 9.80E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.2 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ass...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.4 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.56E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.8 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ass...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 42n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as use-dependent block at pulse 26 by ionworks quattro electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells assessed as tonic block at pulse 1 by ionworks quattro electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 at resting/closed state expressed in HEK293 cells at -140 mV holding potential by manual whole cell patch clamp electrophy...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 17n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-6,6-fused heteroaryl-sulfonamide derivative from human Nav1.7 expressed in HEK293 cell membranes preincubated for 30 mins follow...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.3 expressed in CHO cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ass...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 44n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells assessed as tonic block at pulse 1 by ionworks quattro electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 51n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 at 20% inactivated state expressed in HEK293 cells at -140 mV holding potential followed by channel inactivation by manual...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
PDB

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n/an/a>5.00E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human microsomes using dextromethorphan as substrate coincubated with substrate for 30 mins measured after 5 mins in presence...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 1.19E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Voltage-gated sodium channel


(Rattus norvegicus)
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
PDB
MMDB

KEGG

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n/an/a 3.69E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of rat Nav1.7 expressed in HEK293T cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 8 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 9.40E+3n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.6 expressed in HEK293 cells assessed as reduction in peak inward current by manual whole cell patch clamp electrophysiology ...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
PDB
MMDB

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n/an/a 4.53E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human microsomes using diclofenac as substrate coincubated with substrate for 30 mins measured after 5 mins in presence of NA...


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 115n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of mouse Nav1.7 expressed in HEK293 cells incubated for 3 to 5 mins at -125 mV holding potential by electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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KEGG

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n/an/a 1.14E+4n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in HEK293 cells assessed as use-dependent block at pulse 26 by ionworks quattro electrophysiology assay


J Med Chem 59: 7818-39 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00425
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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US Patent
n/an/a 130n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
HEK 293 cells stably transfected with human Nav1.7 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology sy...


US Patent US9663508 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CRZ
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM329203
PNG
(4-(5-Chloro-6-((1-Methylcyclopropyl)Methoxy)Pyridi...)
Show SMILES COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(Oc2cc(F)ccc2F)c(Cl)c1
Show InChI InChI=1S/C20H14ClF3N2O5S/c1-30-17-8-13(19(27)26-32(2,28)29)16(24)7-12(17)10-5-14(21)20(25-9-10)31-18-6-11(22)3-4-15(18)23/h3-9H,1-2H3,(H,26,27)
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n/an/a 841n/an/an/an/an/an/a



Amgen Inc.

US Patent


Assay Description
293 cells stably transfected with human Nav 1.5 were recorded in whole cell voltage clamp mode with the PatchXpress automated electrophysiology syste...


US Patent US9663508 (2017)


BindingDB Entry DOI: 10.7270/Q2JM2CRZ
More data for this
Ligand-Target Pair