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Compile Data Set for Download or QSAR

Found 502 hits with Last Name = 'besidski' and Initial = 'y'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391055
PNG
(CHEMBL2088399)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O2S/c1-19(2,3)13-6-4-12(5-7-13)18(23)20-14-8-9-16-15(10-14)21-17(11-22)24-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 3.70n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418800
PNG
(CHEMBL1797395)
Show SMILES CCc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(12.19,-25.21,;12.82,-26.62,;11.92,-27.87,;10.38,-27.87,;9.9,-29.34,;11.15,-30.25,;12.4,-29.33,;13.86,-29.8,;15.18,-29.01,;15.16,-27.47,;16.53,-29.75,;17.85,-28.96,;19.2,-29.71,;19.21,-31.24,;17.89,-32.03,;20.56,-31.99,;21.88,-31.2,;21.85,-29.65,;20.5,-28.91,;20.47,-27.37,;11.16,-31.79,;9.83,-32.56,;8.49,-31.79,;9.83,-34.1,;11.16,-34.87,;12.5,-34.1,;12.49,-32.55,;13.82,-31.78,)|
Show InChI InChI=1S/C19H14Cl3FN2O3/c1-2-15-17(18(25-28-15)16-12(21)6-3-7-13(16)22)24-19(26)27-9-10-11(20)5-4-8-14(10)23/h3-8H,2,9H2,1H3,(H,24,26)
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n/an/a 9.33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391031
PNG
(CHEMBL2088393)
Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C19H20N2O3S/c1-19(2,3)24-14-7-4-12(5-8-14)18(23)20-13-6-9-16-15(10-13)21-17(11-22)25-16/h4-10,22H,11H2,1-3H3,(H,20,23)
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n/an/a 9.80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418784
PNG
(CHEMBL1797399)
Show SMILES Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(C)cccc1C |(33.16,-37.18,;32.26,-38.43,;30.72,-38.43,;30.24,-39.9,;31.49,-40.81,;32.74,-39.89,;34.2,-40.36,;35.52,-39.57,;35.49,-38.03,;36.87,-40.31,;38.19,-39.52,;39.54,-40.27,;39.55,-41.81,;38.23,-42.6,;40.9,-42.55,;42.22,-41.76,;42.19,-40.21,;40.84,-39.47,;40.81,-37.93,;31.5,-42.35,;30.17,-43.12,;28.83,-42.35,;30.17,-44.66,;31.5,-45.44,;32.84,-44.66,;32.83,-43.11,;34.16,-42.34,)|
Show InChI InChI=1S/C20H18ClFN2O3/c1-11-6-4-7-12(2)17(11)19-18(13(3)27-24-19)23-20(25)26-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H,23,25)
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n/an/a 10.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391029
PNG
(CHEMBL2088391)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(cc3)C(F)(F)F)ccc2s1
Show InChI InChI=1S/C16H11F3N2O2S/c17-16(18,19)10-3-1-9(2-4-10)15(23)20-11-5-6-13-12(7-11)21-14(8-22)24-13/h1-7,22H,8H2,(H,20,23)
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n/an/a 12n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418789
PNG
(CHEMBL1797391)
Show SMILES CC(C)Oc1ccc(COC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(7.49,-20.61,;6.15,-19.87,;6.12,-18.33,;4.83,-20.66,;3.48,-19.92,;3.45,-18.37,;2.1,-17.63,;.79,-18.43,;-.55,-17.68,;-1.87,-18.47,;-3.22,-17.73,;-3.25,-16.19,;-4.54,-18.52,;-6.01,-18.05,;-6.49,-16.59,;-5.58,-15.34,;-8.03,-16.59,;-8.5,-18.06,;-7.25,-18.97,;-7.24,-20.51,;-8.57,-21.28,;-9.91,-20.51,;-8.58,-22.82,;-7.24,-23.6,;-5.9,-22.82,;-5.91,-21.27,;-4.58,-20.5,;.81,-19.97,;2.16,-20.71,)|
Show InChI InChI=1S/C20H19Cl2N3O4/c1-11(2)28-16-8-7-13(9-23-16)10-27-20(26)24-18-12(3)29-25-19(18)17-14(21)5-4-6-15(17)22/h4-9,11H,10H2,1-3H3,(H,24,26)
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n/an/a 22.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418791
PNG
(CHEMBL1797388)
Show SMILES Cc1onc(c1NC(=O)OCc1ccccc1Cl)-c1c(Cl)cccc1Cl |(15.73,5.12,;14.83,3.87,;13.29,3.87,;12.82,2.4,;14.07,1.49,;15.31,2.41,;16.78,1.94,;18.1,2.73,;18.07,4.27,;19.45,1.99,;20.77,2.78,;22.11,2.04,;22.13,.5,;23.48,-.25,;24.8,.54,;24.77,2.09,;23.42,2.83,;23.38,4.37,;14.07,-.05,;12.75,-.82,;11.41,-.05,;12.74,-2.36,;14.08,-3.13,;15.41,-2.36,;15.41,-.81,;16.74,-.03,)|
Show InChI InChI=1S/C18H13Cl3N2O3/c1-10-16(17(23-26-10)15-13(20)7-4-8-14(15)21)22-18(24)25-9-11-5-2-3-6-12(11)19/h2-8H,9H2,1H3,(H,22,24)
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n/an/a 24.0n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391489
PNG
(CHEMBL2147212)
Show SMILES FC(F)Oc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c23-21(24)34-19-13-29-17(12-31-19)16-4-2-1-3-14(16)7-9-28-20(32)15-5-6-18(30-11-15)33-10-8-22(25,26)27/h1-6,11-13,21H,7-10H2,(H,28,32)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391513
PNG
(CHEMBL2147306)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-13-3-5-17(23)16(19(13)15-10-29-21(32-2)30-11-15)7-8-27-20(31)14-4-6-18(28-9-14)33-12-22(24,25)26/h3-6,9-11H,7-8,12H2,1-2H3,(H,27,31)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391491
PNG
(CHEMBL2147211)
Show SMILES COc1cnc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O3/c1-31-20-14-27-18(13-29-20)17-5-3-2-4-15(17)8-10-26-21(30)16-6-7-19(28-12-16)32-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391025
PNG
(CHEMBL2088398)
Show SMILES Cc1nc2cc(NC(=O)c3ccc(cc3)C(C)(C)C)ccc2s1
Show InChI InChI=1S/C19H20N2OS/c1-12-20-16-11-15(9-10-17(16)23-12)21-18(22)13-5-7-14(8-6-13)19(2,3)4/h5-11H,1-4H3,(H,21,22)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391027
PNG
(CHEMBL2088401)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2s1
Show InChI InChI=1S/C15H11BrN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418774
PNG
(CHEMBL1797387)
Show SMILES Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-4.41,5.18,;-5.31,3.94,;-6.85,3.93,;-7.32,2.47,;-6.08,1.56,;-4.83,2.47,;-3.36,2,;-2.04,2.8,;-2.07,4.34,;-.7,2.05,;.62,2.84,;1.97,2.1,;1.99,.56,;.66,-.23,;3.33,-.19,;4.65,.61,;4.62,2.15,;3.27,2.89,;3.24,4.43,;-6.07,.02,;-7.4,-.75,;-8.73,.02,;-7.4,-2.3,;-6.07,-3.07,;-4.73,-2.3,;-4.74,-.75,;-3.4,.03,)|
Show InChI InChI=1S/C18H12Cl3FN2O3/c1-9-16(17(24-27-9)15-12(20)5-2-6-13(15)21)23-18(25)26-8-10-11(19)4-3-7-14(10)22/h2-7H,8H2,1H3,(H,23,25)
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n/an/a 28.2n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418788
PNG
(CHEMBL1797392)
Show SMILES Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl |(15.59,-15.68,;14.69,-16.93,;13.15,-16.94,;12.67,-18.4,;13.92,-19.31,;15.17,-18.39,;16.63,-18.86,;17.95,-18.07,;17.92,-16.53,;19.3,-18.82,;20.62,-18.02,;21.97,-18.77,;23.27,-17.97,;24.62,-18.71,;24.65,-20.26,;26,-21.01,;27.32,-20.21,;28.78,-20.7,;29.69,-19.46,;28.8,-18.2,;27.33,-18.67,;23.33,-21.05,;21.98,-20.31,;13.93,-20.85,;12.6,-21.62,;11.26,-20.85,;12.6,-23.17,;13.93,-23.94,;15.27,-23.17,;15.26,-21.62,;16.59,-20.84,)|
Show InChI InChI=1S/C22H21Cl2N3O4/c1-13-20(21(27-31-13)19-16(23)7-4-8-17(19)24)26-22(28)29-12-14-9-10-18(25-11-14)30-15-5-2-3-6-15/h4,7-11,15H,2-3,5-6,12H2,1H3,(H,26,28)
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n/an/a 28.8n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391496
PNG
(CHEMBL2147221)
Show SMILES COc1ncc(cn1)-c1cccc(C)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H23F3N4O3/c1-15-4-3-5-19(17-13-29-22(32-2)30-14-17)18(15)8-10-27-21(31)16-6-7-20(28-12-16)33-11-9-23(24,25)26/h3-7,12-14H,8-11H2,1-2H3,(H,27,31)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391483
PNG
(CHEMBL2147223)
Show SMILES COc1ncc(cn1)-c1cccc(Cl)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20ClF3N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391502
PNG
(CHEMBL2147305)
Show SMILES COc1ncc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-5-18(24)17(20(14)16-12-30-22(33-2)31-13-16)7-9-28-21(32)15-4-6-19(29-11-15)34-10-8-23(25,26)27/h3-6,11-13H,7-10H2,1-2H3,(H,28,32)
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n/an/a 32n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391032
PNG
(CHEMBL2088394)
Show SMILES CC(C)Oc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C18H18N2O3S/c1-11(2)23-14-6-3-12(4-7-14)18(22)19-13-5-8-16-15(9-13)20-17(10-21)24-16/h3-9,11,21H,10H2,1-2H3,(H,19,22)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418782
PNG
(CHEMBL1797401)
Show SMILES Cc1onc(c1NC(=O)NCc1c(F)cccc1Cl)-c1c(C)cccc1C |(12.41,5.36,;11.51,4.11,;9.97,4.1,;9.5,2.64,;10.75,1.73,;11.99,2.64,;13.46,2.17,;14.78,2.97,;14.75,4.51,;16.13,2.22,;17.45,3.02,;18.79,2.27,;18.81,.73,;17.49,-.06,;20.15,-.02,;21.48,.78,;21.44,2.33,;20.1,3.06,;20.06,4.6,;10.75,.19,;9.42,-.58,;8.09,.19,;9.42,-2.13,;10.76,-2.9,;12.09,-2.13,;12.09,-.58,;13.42,.2,)|
Show InChI InChI=1S/C20H19ClFN3O2/c1-11-6-4-7-12(2)17(11)19-18(13(3)27-25-19)24-20(26)23-10-14-15(21)8-5-9-16(14)22/h4-9H,10H2,1-3H3,(H2,23,24,26)
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n/an/a 38.0n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391501
PNG
(CHEMBL2147307)
Show SMILES COc1cnc(cn1)-c1c(C)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C23H22F4N4O3/c1-14-3-6-18(24)17(21(14)19-10-31-20(33-2)11-30-19)7-8-28-22(32)15-4-5-16(29-9-15)12-34-13-23(25,26)27/h3-6,9-11H,7-8,12-13H2,1-2H3,(H,28,32)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391492
PNG
(CHEMBL2147213)
Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)NCCc1ccccc1-c1cccnc1
Show InChI InChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29)
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n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391040
PNG
(CHEMBL2088406)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(OCC(F)(F)F)nc3)ccc2s1
Show InChI InChI=1S/C16H12F3N3O3S/c17-16(18,19)8-25-13-4-1-9(6-20-13)15(24)21-10-2-3-12-11(5-10)22-14(7-23)26-12/h1-6,23H,7-8H2,(H,21,24)
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n/an/a 41n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395351
PNG
(CHEMBL2164363)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CC(F)(F)c3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H18F5N3O3/c25-23(26,19-7-3-4-12-30-19)14-32-20(17-5-1-2-6-18(17)22(32)34)21(33)31-13-15-8-10-16(11-9-15)35-24(27,28)29/h1-12,20H,13-14H2,(H,31,33)
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n/an/a 45n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391052
PNG
(CHEMBL2088419)
Show SMILES CC(C)Oc1ccc(C(=O)Nc2ccc3sc(CO)nc3c2)c(C)c1
Show InChI InChI=1S/C19H20N2O3S/c1-11(2)24-14-5-6-15(12(3)8-14)19(23)20-13-4-7-17-16(9-13)21-18(10-22)25-17/h4-9,11,22H,10H2,1-3H3,(H,20,23)
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n/an/a 47n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395332
PNG
(CHEMBL2164390)
Show SMILES FC(F)(F)Oc1cccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)c1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-8-5-6-16(14-18)15-29-22(31)21-19-9-1-2-10-20(19)23(32)30(21)13-11-17-7-3-4-12-28-17/h1-10,12,14,21H,11,13,15H2,(H,29,31)
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n/an/a 49n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391500
PNG
(CHEMBL2147308)
Show SMILES COc1cnc(cn1)-c1c(F)ccc(F)c1CCNC(=O)c1ccc(COCC(F)(F)F)nc1
Show InChI InChI=1S/C22H19F5N4O3/c1-33-19-10-30-18(9-31-19)20-15(16(23)4-5-17(20)24)6-7-28-21(32)13-2-3-14(29-8-13)11-34-12-22(25,26)27/h2-5,8-10H,6-7,11-12H2,1H3,(H,28,32)
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n/an/a 50n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395345
PNG
(CHEMBL2164369)
Show SMILES Cc1cccc2C(=O)N(CCc3ccccn3)C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c12
Show InChI InChI=1S/C25H22F3N3O3/c1-16-5-4-7-20-21(16)22(31(24(20)33)14-12-18-6-2-3-13-29-18)23(32)30-15-17-8-10-19(11-9-17)34-25(26,27)28/h2-11,13,22H,12,14-15H2,1H3,(H,30,32)
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n/an/a 51n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391037
PNG
(CHEMBL2088403)
Show SMILES CC(C)(C)OCc1ccc(cc1)C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C20H22N2O3S/c1-20(2,3)25-12-13-4-6-14(7-5-13)19(24)21-15-8-9-17-16(10-15)22-18(11-23)26-17/h4-10,23H,11-12H2,1-3H3,(H,21,24)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391053
PNG
(CHEMBL2088420)
Show SMILES Cc1cc(Br)ccc1C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C16H13BrN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 52n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 53n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418775
PNG
(CHEMBL1797413)
Show SMILES Cc1onc(c1CC(=O)NCc1cccc(OCCOCC(F)(F)F)n1)-c1c(C)cccc1C |(5.05,-11.78,;3.92,-12.83,;2.41,-12.53,;1.67,-13.88,;2.72,-15.01,;4.12,-14.35,;5.46,-15.1,;6.78,-14.31,;6.76,-12.77,;8.13,-15.05,;9.45,-14.26,;10.8,-15.01,;12.1,-14.21,;13.45,-14.95,;13.48,-16.5,;12.16,-17.29,;12.17,-18.85,;13.52,-19.61,;14.84,-18.82,;16.18,-19.58,;17.51,-18.8,;18.85,-19.55,;20.18,-18.77,;18.87,-21.09,;20.18,-20.32,;10.81,-16.54,;2.42,-16.52,;3.59,-17.51,;5.04,-17,;3.3,-19.02,;1.84,-19.53,;.68,-18.52,;.97,-17.01,;-.19,-16,)|
Show InChI InChI=1S/C24H26F3N3O4/c1-15-6-4-7-16(2)22(15)23-19(17(3)34-30-23)12-20(31)28-13-18-8-5-9-21(29-18)33-11-10-32-14-24(25,26)27/h4-9H,10-14H2,1-3H3,(H,28,31)
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n/an/a 58.9n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391490
PNG
(CHEMBL2147222)
Show SMILES COc1ncc(cn1)-c1cccc(F)c1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H20F4N4O3/c1-32-21-29-12-15(13-30-21)16-3-2-4-18(23)17(16)7-9-27-20(31)14-5-6-19(28-11-14)33-10-8-22(24,25)26/h2-6,11-13H,7-10H2,1H3,(H,27,31)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50391493
PNG
(CHEMBL2147214)
Show SMILES Cc1ncc(cn1)-c1ccccc1CCNC(=O)c1ccc(OCCC(F)(F)F)nc1
Show InChI InChI=1S/C22H21F3N4O2/c1-15-27-13-18(14-28-15)19-5-3-2-4-16(19)8-10-26-21(30)17-6-7-20(29-12-17)31-11-9-22(23,24)25/h2-7,12-14H,8-11H2,1H3,(H,26,30)
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n/an/a 63n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.7 expressed in HEK293 cells by whole cell voltage-clamp electrophysiology assay

Bioorg Med Chem Lett 22: 6108-15 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.031
BindingDB Entry DOI: 10.7270/Q2B8596S
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390100
PNG
(CHEMBL2069420)
Show SMILES FC(F)(F)CCOc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cncnc3)c2C1 |r|
Show InChI InChI=1S/C22H19F3N4O3/c23-22(24,25)6-7-31-20-5-4-14(11-28-20)21(30)29-16-8-18-17(15-9-26-13-27-10-15)2-1-3-19(18)32-12-16/h1-5,9-11,13,16H,6-8,12H2,(H,29,30)/t16-/m0/s1
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n/an/a 63.1n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395373
PNG
(CHEMBL2164041)
Show SMILES Oc1cccc2C(N(CCc3ccccn3)C(=O)c12)C(=O)NCc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H20F3N3O4/c25-24(26,27)34-17-9-7-15(8-10-17)14-29-22(32)21-18-5-3-6-19(31)20(18)23(33)30(21)13-11-16-4-1-2-12-28-16/h1-10,12,21,31H,11,13-14H2,(H,29,32)
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n/an/a 64n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391026
PNG
(CHEMBL2088400)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(Cl)cc3)ccc2s1
Show InChI InChI=1S/C15H11ClN2O2S/c16-10-3-1-9(2-4-10)15(20)17-11-5-6-13-12(7-11)18-14(8-19)21-13/h1-7,19H,8H2,(H,17,20)
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n/an/a 68n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50418795
PNG
(CHEMBL1797398)
Show SMILES Cc1onc(c1NC(=O)OCc1c(F)cccc1Cl)-c1c(F)cccc1Cl |(13.99,-37.25,;13.09,-38.5,;11.55,-38.5,;11.08,-39.97,;12.33,-40.88,;13.57,-39.96,;15.04,-40.43,;16.36,-39.64,;16.33,-38.1,;17.7,-40.38,;19.02,-39.59,;20.37,-40.34,;20.39,-41.88,;19.07,-42.67,;21.73,-42.62,;23.06,-41.83,;23.02,-40.28,;21.68,-39.54,;21.64,-38,;12.33,-42.42,;11,-43.19,;9.67,-42.42,;11,-44.73,;12.34,-45.51,;13.67,-44.73,;13.67,-43.18,;15,-42.41,)|
Show InChI InChI=1S/C18H12Cl2F2N2O3/c1-9-16(17(24-27-9)15-12(20)5-3-7-14(15)22)23-18(25)26-8-10-11(19)4-2-6-13(10)21/h2-7H,8H2,1H3,(H,23,25)
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n/an/a 72.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Nav1.7 by cell based whole-cell voltage clamp electrophysiology assay

Bioorg Med Chem Lett 21: 3871-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.041
BindingDB Entry DOI: 10.7270/Q21837RK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395356
PNG
(CHEMBL2164356)
Show SMILES Cc1cccc(CCN2C(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccccc3C2=O)n1
Show InChI InChI=1S/C25H22F3N3O3/c1-16-5-4-6-18(30-16)13-14-31-22(20-7-2-3-8-21(20)24(31)33)23(32)29-15-17-9-11-19(12-10-17)34-25(26,27)28/h2-12,22H,13-15H2,1H3,(H,29,32)
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n/an/a 73n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)		BDBM50395366
PNG
(CHEMBL2164373)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(C3CCC(F)(F)CC3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C23H21F5N2O3/c24-22(25)11-9-15(10-12-22)30-19(17-3-1-2-4-18(17)21(30)32)20(31)29-13-14-5-7-16(8-6-14)33-23(26,27)28/h1-8,15,19H,9-13H2,(H,29,31)
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n/an/a 74n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Rattus norvegicus)		BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 74n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390101
PNG
(CHEMBL2069426)
Show SMILES Cc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O3/c1-13-8-27-18(10-26-13)16-3-2-4-19-17(16)7-15(11-31-19)29-21(30)14-5-6-20(28-9-14)32-12-22(23,24)25/h2-6,8-10,15H,7,11-12H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390096
PNG
(CHEMBL2069408)
Show SMILES FC(F)(F)COc1ccc(cn1)C(=O)N[C@@H]1COc2cccc(-c3cccnc3)c2C1 |r|
Show InChI InChI=1S/C22H18F3N3O3/c23-22(24,25)13-31-20-7-6-15(11-27-20)21(29)28-16-9-18-17(14-3-2-8-26-10-14)4-1-5-19(18)30-12-16/h1-8,10-11,16H,9,12-13H2,(H,28,29)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390072
PNG
(CHEMBL2069427)
Show SMILES COc1cnc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(COCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O4/c1-32-21-10-28-19(9-29-21)17-3-2-4-20-18(17)7-16(12-34-20)30-22(31)14-5-6-15(27-8-14)11-33-13-23(24,25)26/h2-6,8-10,16H,7,11-13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390090
PNG
(CHEMBL2069422)
Show SMILES COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C23H21F3N4O4/c1-32-22-28-11-15(12-29-22)17-3-2-4-19-18(17)9-16(13-34-19)30-21(31)14-5-6-20(27-10-14)33-8-7-23(24,25)26/h2-6,10-12,16H,7-9,13H2,1H3,(H,30,31)/t16-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50390089
PNG
(CHEMBL2069421)
Show SMILES COc1ncc(cn1)-c1cccc2OC[C@H](Cc12)NC(=O)c1ccc(OCC(F)(F)F)nc1 |r|
Show InChI InChI=1S/C22H19F3N4O4/c1-31-21-27-9-14(10-28-21)16-3-2-4-18-17(16)7-15(11-32-18)29-20(30)13-5-6-19(26-8-13)33-12-22(23,24)25/h2-6,8-10,15H,7,11-12H2,1H3,(H,29,30)/t15-/m0/s1
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n/an/a 79.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 expressed in HEK293 cells by whole-cell voltage clamp assay

Bioorg Med Chem Lett 22: 5618-24 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.105
BindingDB Entry DOI: 10.7270/Q2ZC83ZX
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395333
PNG
(CHEMBL2164389)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O3/c25-24(26,27)33-18-10-8-16(9-11-18)15-29-22(31)21-19-6-1-2-7-20(19)23(32)30(21)14-12-17-5-3-4-13-28-17/h1-11,13,21H,12,14-15H2,(H,29,31)
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n/an/a 80n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -90 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))		BDBM50395355
PNG
(CHEMBL2164358)
Show SMILES FC(F)(F)Oc1ccc(CNC(=O)C2N(CCOc3ccccn3)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C24H20F3N3O4/c25-24(26,27)34-17-10-8-16(9-11-17)15-29-22(31)21-18-5-1-2-6-19(18)23(32)30(21)13-14-33-20-7-3-4-12-28-20/h1-12,21H,13-15H2,(H,29,31)
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of recombinant human NaV1.7 alpha subunit expressed in HEK293 cells at -65 mV holding potential by patch clamp electrophysiological assay

J Med Chem 55: 6866-80 (2012)


Article DOI: 10.1021/jm300623u
BindingDB Entry DOI: 10.7270/Q2M909SB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391051
PNG
(CHEMBL2088418)
Show SMILES Cc1cc(Cl)ccc1C(=O)Nc1ccc2sc(CO)nc2c1
Show InChI InChI=1S/C16H13ClN2O2S/c1-9-6-10(17)2-4-12(9)16(21)18-11-3-5-14-13(7-11)19-15(8-20)22-14/h2-7,20H,8H2,1H3,(H,18,21)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1


(Homo sapiens (Human))		BDBM50391039
PNG
(CHEMBL2088405)
Show SMILES OCc1nc2cc(NC(=O)c3ccc(nc3)N3CCCCC3)ccc2s1
Show InChI InChI=1S/C19H20N4O2S/c24-12-18-22-15-10-14(5-6-16(15)26-18)21-19(25)13-4-7-17(20-11-13)23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12H2,(H,21,25)
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n/an/a 86n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant TRPV1 receptor assessed as inhibition of capsaicin-induced calcium uptake by FLIPR assay

Bioorg Med Chem Lett 22: 6205-11 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.018
BindingDB Entry DOI: 10.7270/Q29C6ZGB
More data for this
Ligand-Target Pair
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