Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50041923 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50418800
(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) | PDB
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| Article
PubMed
| n/a | n/a | 9.33 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418784
(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) | PDB
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PubMed
| n/a | n/a | 10.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418789
(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) | PDB
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PubMed
| n/a | n/a | 22.9 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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PubMed
| n/a | n/a | 24.0 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418774
(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) | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | 28.2 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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PubMed
| n/a | n/a | 28.8 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418782
(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) | PDB
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PubMed
| n/a | n/a | 38.0 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418775
(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) | PDB
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| n/a | n/a | 58.9 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418795
(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) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 72.4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418792
(CHEMBL1797409)Show SMILES CC(C)Oc1ccc(CNC(=O)Cc2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(9.43,-.5,;8.08,.24,;8.05,1.78,;6.76,-.55,;5.42,.19,;5.38,1.74,;4.04,2.48,;2.73,1.69,;1.38,2.43,;.06,1.64,;-1.28,2.38,;-1.31,3.92,;-2.6,1.59,;-4.07,2.06,;-4.55,3.52,;-3.65,4.77,;-6.09,3.52,;-6.56,2.05,;-5.31,1.14,;-5.31,-.4,;-6.64,-1.17,;-7.97,-.4,;-6.64,-2.71,;-5.3,-3.48,;-3.97,-2.71,;-3.97,-1.16,;-2.64,-.38,;2.75,.15,;4.09,-.6,)| Show InChI InChI=1S/C21H21Cl2N3O3/c1-12(2)28-19-8-7-14(11-25-19)10-24-18(27)9-15-13(3)29-26-21(15)20-16(22)5-4-6-17(20)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418797
(CHEMBL1797389)Show SMILES Cc1onc(c1NC(=O)OCc1cc(Cl)ccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,-5.07,;-6.03,-6.32,;-7.57,-6.33,;-8.04,-7.79,;-6.79,-8.7,;-5.55,-7.79,;-4.08,-8.26,;-2.76,-7.46,;-2.79,-5.92,;-1.41,-8.21,;-.09,-7.41,;1.25,-8.16,;1.27,-9.7,;2.62,-10.45,;2.64,-11.99,;3.94,-9.65,;3.91,-8.1,;2.56,-7.37,;2.52,-5.83,;-6.79,-10.24,;-8.11,-11.01,;-9.45,-10.24,;-8.12,-12.56,;-6.78,-13.33,;-5.45,-12.56,;-5.45,-11.01,;-4.12,-10.23,)| Show InChI InChI=1S/C18H12Cl4N2O3/c1-9-16(17(24-27-9)15-13(21)3-2-4-14(15)22)23-18(25)26-8-10-7-11(19)5-6-12(10)20/h2-7H,8H2,1H3,(H,23,25) | PDB
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PubMed
| n/a | n/a | 138 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418790
(CHEMBL1797390)Show SMILES CN(C)c1cccc(COC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)c1 |(27.14,-8,;25.79,-7.26,;25.76,-5.72,;24.48,-8.06,;24.51,-9.61,;23.19,-10.4,;21.84,-9.65,;21.83,-8.11,;20.48,-7.37,;19.16,-8.16,;17.81,-7.42,;17.78,-5.88,;16.49,-8.21,;15.03,-7.74,;14.55,-6.28,;15.45,-5.03,;13.01,-6.28,;12.53,-7.75,;13.78,-8.66,;13.79,-10.2,;12.46,-10.97,;11.12,-10.2,;12.46,-12.51,;13.79,-13.28,;15.13,-12.51,;15.12,-10.96,;16.45,-10.18,;23.13,-7.32,)| Show InChI InChI=1S/C20H19Cl2N3O3/c1-12-18(19(24-28-12)17-15(21)8-5-9-16(17)22)23-20(26)27-11-13-6-4-7-14(10-13)25(2)3/h4-10H,11H2,1-3H3,(H,23,26) | PDB
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PC cid
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PubMed
| n/a | n/a | 151 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418783
(CHEMBL1797400)Show SMILES Cc1onc(c1NC(=O)NCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,4.9,;-6.03,3.65,;-7.57,3.64,;-8.04,2.18,;-6.79,1.27,;-5.55,2.19,;-4.08,1.72,;-2.76,2.51,;-2.79,4.05,;-1.41,1.76,;-.09,2.56,;1.25,1.81,;1.27,.27,;-.05,-.52,;2.62,-.47,;3.94,.32,;3.91,1.87,;2.56,2.61,;2.52,4.15,;-6.79,-.27,;-8.11,-1.04,;-9.45,-.27,;-8.12,-2.59,;-6.78,-3.36,;-5.45,-2.59,;-5.45,-1.04,;-4.12,-.26,)| Show InChI InChI=1S/C18H13Cl3FN3O2/c1-9-16(17(25-27-9)15-12(20)5-2-6-13(15)21)24-18(26)23-8-10-11(19)4-3-7-14(10)22/h2-7H,8H2,1H3,(H2,23,24,26) | PDB
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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)) | BDBM50418799
(CHEMBL1797402)Show SMILES CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1c(Cl)cccc1Cl |(-2.67,-10.41,;-3.43,-9.09,;-2.11,-8.29,;-2.13,-6.75,;-.76,-9.04,;.56,-8.25,;1.91,-8.99,;3.21,-8.2,;4.56,-8.94,;4.59,-10.48,;5.94,-11.23,;7.26,-10.43,;8.6,-11.18,;9.92,-10.39,;9.89,-8.85,;8.55,-8.1,;7.22,-8.9,;3.27,-11.28,;1.92,-10.53,;-4.89,-8.62,;-5.37,-7.15,;-4.47,-5.91,;-6.91,-7.16,;-7.39,-8.63,;-6.14,-9.53,;-6.13,-11.07,;-7.46,-11.85,;-8.8,-11.08,;-7.46,-13.39,;-6.13,-14.16,;-4.79,-13.39,;-4.8,-11.84,;-3.47,-11.06,)| Show InChI InChI=1S/C23H24Cl2N4O4/c1-14-22(21(28-33-14)20-17(24)4-3-5-18(20)25)29(2)23(30)27-13-15-6-7-19(26-12-15)32-16-8-10-31-11-9-16/h3-7,12,16H,8-11,13H2,1-2H3,(H,27,30) | PDB
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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)) | BDBM50418777
(CHEMBL1797410)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl |(18.94,3.99,;18.04,2.74,;16.5,2.73,;16.03,1.27,;17.27,.36,;18.52,1.28,;19.98,.81,;21.3,1.6,;21.28,3.14,;22.65,.85,;23.97,1.65,;25.32,.9,;26.62,1.7,;27.97,.96,;28,-.59,;29.35,-1.34,;30.67,-.54,;32.02,-1.29,;32.05,-2.83,;33.34,-.49,;33.34,-2.05,;26.68,-1.38,;25.33,-.64,;17.28,-1.18,;15.95,-1.95,;14.62,-1.18,;15.95,-3.5,;17.28,-4.27,;18.62,-3.5,;18.61,-1.95,;19.94,-1.17,)| Show InChI InChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29) | PDB
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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)) | BDBM50418781
(CHEMBL1797405)Show SMILES CC(C)Oc1ccc(CNC(=O)Nc2c(C)onc2-c2c(C)cccc2C)cn1 |(32.67,-21.53,;31.32,-20.79,;31.28,-19.25,;30,-21.58,;28.66,-20.84,;28.62,-19.29,;27.28,-18.55,;25.97,-19.35,;24.62,-18.6,;23.3,-19.39,;21.96,-18.65,;21.93,-17.11,;20.64,-19.44,;19.17,-18.97,;18.69,-17.51,;19.59,-16.26,;17.15,-17.51,;16.68,-18.98,;17.93,-19.89,;17.93,-21.43,;16.6,-22.2,;15.27,-21.43,;16.6,-23.74,;17.94,-24.51,;19.27,-23.74,;19.27,-22.19,;20.6,-21.42,;25.99,-20.88,;27.33,-21.63,)| Show InChI InChI=1S/C22H26N4O3/c1-13(2)28-18-10-9-17(11-23-18)12-24-22(27)25-20-16(5)29-26-21(20)19-14(3)7-6-8-15(19)4/h6-11,13H,12H2,1-5H3,(H2,24,25,27) | PDB
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| n/a | n/a | 209 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418787
(CHEMBL1797393)Show SMILES CC(C)Oc1ccc(COC(=O)N(C)c2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(48.65,-19.56,;47.31,-18.81,;47.28,-17.27,;45.99,-19.61,;44.64,-18.86,;44.61,-17.31,;43.26,-16.57,;41.95,-17.37,;40.61,-16.62,;39.29,-17.42,;37.94,-16.67,;37.91,-15.13,;36.62,-17.46,;37.38,-18.79,;35.15,-16.99,;34.67,-15.53,;35.58,-14.28,;33.13,-15.54,;32.66,-17,;33.91,-17.91,;33.92,-19.45,;32.59,-20.22,;31.25,-19.45,;32.58,-21.77,;33.92,-22.54,;35.26,-21.77,;35.25,-20.22,;36.58,-19.44,;41.97,-18.91,;43.32,-19.65,)| Show InChI InChI=1S/C21H21Cl2N3O4/c1-12(2)29-17-9-8-14(10-24-17)11-28-21(27)26(4)20-13(3)30-25-19(20)18-15(22)6-5-7-16(18)23/h5-10,12H,11H2,1-4H3 | PDB
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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)) | BDBM50418780
(CHEMBL1797406)Show SMILES Cc1onc(c1NC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(Cl)cccc1Cl |(-3.96,-28.77,;-4.86,-30.01,;-6.4,-30.02,;-6.87,-31.48,;-5.62,-32.39,;-4.38,-31.48,;-2.91,-31.95,;-1.59,-31.15,;-1.62,-29.61,;-.25,-31.9,;1.07,-31.11,;2.42,-31.85,;2.44,-33.39,;3.78,-34.14,;5.1,-33.34,;5.07,-31.8,;3.73,-31.06,;6.45,-34.09,;6.65,-35.62,;8.16,-35.91,;8.91,-34.56,;7.86,-33.43,;-5.62,-33.93,;-6.95,-34.7,;-8.28,-33.93,;-6.95,-36.25,;-5.62,-37.02,;-4.28,-36.25,;-4.28,-34.7,;-2.95,-33.92,)| Show InChI InChI=1S/C21H17Cl2N5O2/c1-13-19(20(27-30-13)18-16(22)4-2-5-17(18)23)26-21(29)24-12-14-6-8-15(9-7-14)28-11-3-10-25-28/h2-11H,12H2,1H3,(H2,24,26,29) | PDB
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| n/a | n/a | 263 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418786
(CHEMBL1797394)Show SMILES CN(C(=O)OCc1c(F)cccc1Cl)c1c(C)onc1-c1c(Cl)cccc1Cl |(-4.22,-30.23,;-4.98,-28.91,;-3.66,-28.11,;-3.69,-26.57,;-2.32,-28.86,;-1,-28.06,;.35,-28.81,;.37,-30.35,;-.95,-31.14,;1.71,-31.1,;3.04,-30.3,;3,-28.75,;1.66,-28.02,;1.62,-26.48,;-6.45,-28.44,;-6.93,-26.97,;-6.03,-25.72,;-8.47,-26.98,;-8.94,-28.44,;-7.69,-29.35,;-7.69,-30.89,;-9.02,-31.66,;-10.35,-30.89,;-9.02,-33.21,;-7.68,-33.98,;-6.35,-33.21,;-6.35,-31.66,;-5.02,-30.88,)| Show InChI InChI=1S/C19H14Cl3FN2O3/c1-10-18(17(24-28-10)16-13(21)6-3-7-14(16)22)25(2)19(26)27-9-11-12(20)5-4-8-15(11)23/h3-8H,9H2,1-2H3 | PDB
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| n/a | n/a | 302 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418785
(CHEMBL1797396)Show SMILES COCc1onc(c1NC(=O)OCc1ccccc1Cl)-c1c(Cl)cccc1Cl |(30.29,-24.05,;29.38,-25.3,;30.01,-26.7,;29.11,-27.95,;27.57,-27.96,;27.1,-29.42,;28.35,-30.33,;29.59,-29.42,;31.06,-29.89,;32.38,-29.09,;32.35,-27.55,;33.73,-29.84,;35.05,-29.04,;36.39,-29.79,;36.41,-31.33,;37.76,-32.08,;39.08,-31.28,;39.05,-29.73,;37.7,-29,;37.66,-27.46,;28.35,-31.87,;27.03,-32.64,;25.69,-31.87,;27.02,-34.19,;28.36,-34.96,;29.69,-34.19,;29.69,-32.64,;31.02,-31.86,)| Show InChI InChI=1S/C19H15Cl3N2O4/c1-26-10-15-17(18(24-28-15)16-13(21)7-4-8-14(16)22)23-19(25)27-9-11-5-2-3-6-12(11)20/h2-8H,9-10H2,1H3,(H,23,25) | PDB
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| n/a | n/a | 331 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418776
(AZ-12857405 | CHEMBL1797412)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(Cl)cccc1Cl |(6.37,-16.57,;5.25,-17.62,;3.73,-17.32,;2.99,-18.67,;4.04,-19.8,;5.44,-19.14,;6.79,-19.89,;8.11,-19.1,;8.08,-17.56,;9.45,-19.84,;10.77,-19.05,;12.12,-19.8,;12.14,-21.34,;13.48,-22.08,;14.8,-21.29,;14.77,-19.74,;13.42,-19,;16.15,-22.03,;16.35,-23.56,;17.86,-23.85,;18.61,-22.5,;17.55,-21.38,;3.75,-21.31,;4.91,-22.3,;6.36,-21.79,;4.62,-23.81,;3.16,-24.32,;2,-23.31,;2.29,-21.8,;1.13,-20.79,)| Show InChI InChI=1S/C22H18Cl2N4O2/c1-14-17(22(27-30-14)21-18(23)4-2-5-19(21)24)12-20(29)25-13-15-6-8-16(9-7-15)28-11-3-10-26-28/h2-11H,12-13H2,1H3,(H,25,29) | PDB
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| n/a | n/a | 851 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418779
(CHEMBL1797407)Show SMILES Cc1onc(c1NC(=O)NCc1ccc(cc1)-n1cccn1)-c1c(C)cccc1C |(18.44,-27.81,;17.54,-29.06,;16,-29.06,;15.53,-30.53,;16.78,-31.44,;18.02,-30.52,;19.49,-30.99,;20.81,-30.2,;20.78,-28.66,;22.15,-30.94,;23.47,-30.15,;24.82,-30.9,;24.84,-32.43,;26.18,-33.18,;27.5,-32.39,;27.47,-30.84,;26.13,-30.1,;28.85,-33.13,;29.05,-34.66,;30.56,-34.95,;31.31,-33.6,;30.26,-32.48,;16.78,-32.98,;15.45,-33.75,;14.12,-32.98,;15.45,-35.29,;16.78,-36.06,;18.12,-35.29,;18.12,-33.74,;19.45,-32.97,)| Show InChI InChI=1S/C23H23N5O2/c1-15-6-4-7-16(2)20(15)22-21(17(3)30-27-22)26-23(29)24-14-18-8-10-19(11-9-18)28-13-5-12-25-28/h4-13H,14H2,1-3H3,(H2,24,26,29) | PDB
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| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418798
(CHEMBL1797411)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(C)cccc1C |(6.37,-16.57,;5.25,-17.62,;3.73,-17.32,;2.99,-18.67,;4.04,-19.8,;5.44,-19.14,;6.79,-19.89,;8.11,-19.1,;8.08,-17.56,;9.45,-19.84,;10.77,-19.05,;12.12,-19.8,;13.42,-19,;14.77,-19.74,;14.8,-21.29,;16.15,-22.03,;16.18,-23.57,;17.53,-24.32,;17.56,-25.86,;18.85,-23.52,;18.85,-25.08,;13.48,-22.08,;12.14,-21.34,;3.75,-21.31,;4.91,-22.3,;6.36,-21.79,;4.62,-23.81,;3.16,-24.32,;2,-23.31,;2.29,-21.8,;1.13,-20.79,)| Show InChI InChI=1S/C22H22F3N3O3/c1-13-5-4-6-14(2)20(13)21-17(15(3)31-28-21)9-18(29)26-10-16-7-8-19(27-11-16)30-12-22(23,24)25/h4-8,11H,9-10,12H2,1-3H3,(H,26,29) | PDB
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| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418788
(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) | PDB
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| n/a | n/a | 1.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418797
(CHEMBL1797389)Show SMILES Cc1onc(c1NC(=O)OCc1cc(Cl)ccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,-5.07,;-6.03,-6.32,;-7.57,-6.33,;-8.04,-7.79,;-6.79,-8.7,;-5.55,-7.79,;-4.08,-8.26,;-2.76,-7.46,;-2.79,-5.92,;-1.41,-8.21,;-.09,-7.41,;1.25,-8.16,;1.27,-9.7,;2.62,-10.45,;2.64,-11.99,;3.94,-9.65,;3.91,-8.1,;2.56,-7.37,;2.52,-5.83,;-6.79,-10.24,;-8.11,-11.01,;-9.45,-10.24,;-8.12,-12.56,;-6.78,-13.33,;-5.45,-12.56,;-5.45,-11.01,;-4.12,-10.23,)| Show InChI InChI=1S/C18H12Cl4N2O3/c1-9-16(17(24-27-9)15-13(21)3-2-4-14(15)22)23-18(25)26-8-10-7-11(19)5-6-12(10)20/h2-7H,8H2,1H3,(H,23,25) | PDB
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PubMed
| n/a | n/a | 2.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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)) | BDBM50418794
(CHEMBL1797403)Show SMILES CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C23H25ClN4O4/c1-15-22(21(27-32-15)18-5-3-4-6-19(18)24)28(2)23(29)26-14-16-7-8-20(25-13-16)31-17-9-11-30-12-10-17/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29) | PDB
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| n/a | n/a | 3.63E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418793
(CHEMBL1797404)Show SMILES CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1c(C)cccc1C |(-1.81,-21.92,;-2.57,-20.59,;-1.25,-19.8,;-1.28,-18.26,;.1,-20.54,;1.42,-19.75,;2.76,-20.5,;4.07,-19.7,;5.41,-20.44,;5.45,-21.99,;6.79,-22.73,;8.11,-21.94,;9.46,-22.69,;10.77,-21.9,;10.75,-20.36,;9.4,-19.61,;8.08,-20.4,;4.12,-22.78,;2.78,-22.04,;-4.04,-20.12,;-4.52,-18.66,;-3.62,-17.41,;-6.06,-18.66,;-6.53,-20.13,;-5.28,-21.04,;-5.28,-22.58,;-6.61,-23.35,;-7.94,-22.58,;-6.61,-24.89,;-5.27,-25.66,;-3.94,-24.89,;-3.94,-23.34,;-2.61,-22.57,)| Show InChI InChI=1S/C25H30N4O4/c1-16-6-5-7-17(2)22(16)23-24(18(3)33-28-23)29(4)25(30)27-15-19-8-9-21(26-14-19)32-20-10-12-31-13-11-20/h5-9,14,20H,10-13,15H2,1-4H3,(H,27,30) | PDB
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| n/a | n/a | 4.47E+3 | n/a | n/a | n/a | n/a | n/a | n/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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418792
(CHEMBL1797409)Show SMILES CC(C)Oc1ccc(CNC(=O)Cc2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(9.43,-.5,;8.08,.24,;8.05,1.78,;6.76,-.55,;5.42,.19,;5.38,1.74,;4.04,2.48,;2.73,1.69,;1.38,2.43,;.06,1.64,;-1.28,2.38,;-1.31,3.92,;-2.6,1.59,;-4.07,2.06,;-4.55,3.52,;-3.65,4.77,;-6.09,3.52,;-6.56,2.05,;-5.31,1.14,;-5.31,-.4,;-6.64,-1.17,;-7.97,-.4,;-6.64,-2.71,;-5.3,-3.48,;-3.97,-2.71,;-3.97,-1.16,;-2.64,-.38,;2.75,.15,;4.09,-.6,)| Show InChI InChI=1S/C21H21Cl2N3O3/c1-12(2)28-19-8-7-14(11-25-19)10-24-18(27)9-15-13(3)29-26-21(15)20-16(22)5-4-6-17(20)23/h4-8,11-12H,9-10H2,1-3H3,(H,24,27) | PDB
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| n/a | n/a | 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418774
(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) | PDB
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| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418799
(CHEMBL1797402)Show SMILES CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1c(Cl)cccc1Cl |(-2.67,-10.41,;-3.43,-9.09,;-2.11,-8.29,;-2.13,-6.75,;-.76,-9.04,;.56,-8.25,;1.91,-8.99,;3.21,-8.2,;4.56,-8.94,;4.59,-10.48,;5.94,-11.23,;7.26,-10.43,;8.6,-11.18,;9.92,-10.39,;9.89,-8.85,;8.55,-8.1,;7.22,-8.9,;3.27,-11.28,;1.92,-10.53,;-4.89,-8.62,;-5.37,-7.15,;-4.47,-5.91,;-6.91,-7.16,;-7.39,-8.63,;-6.14,-9.53,;-6.13,-11.07,;-7.46,-11.85,;-8.8,-11.08,;-7.46,-13.39,;-6.13,-14.16,;-4.79,-13.39,;-4.8,-11.84,;-3.47,-11.06,)| Show InChI InChI=1S/C23H24Cl2N4O4/c1-14-22(21(28-33-14)20-17(24)4-3-5-18(20)25)29(2)23(30)27-13-15-6-7-19(26-12-15)32-16-8-10-31-11-9-16/h3-7,12,16H,8-11,13H2,1-2H3,(H,27,30) | PDB
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| n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418800
(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) | PDB
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| n/a | n/a | 7.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418784
(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) | PDB
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| n/a | n/a | 7.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418783
(CHEMBL1797400)Show SMILES Cc1onc(c1NC(=O)NCc1c(F)cccc1Cl)-c1c(Cl)cccc1Cl |(-5.13,4.9,;-6.03,3.65,;-7.57,3.64,;-8.04,2.18,;-6.79,1.27,;-5.55,2.19,;-4.08,1.72,;-2.76,2.51,;-2.79,4.05,;-1.41,1.76,;-.09,2.56,;1.25,1.81,;1.27,.27,;-.05,-.52,;2.62,-.47,;3.94,.32,;3.91,1.87,;2.56,2.61,;2.52,4.15,;-6.79,-.27,;-8.11,-1.04,;-9.45,-.27,;-8.12,-2.59,;-6.78,-3.36,;-5.45,-2.59,;-5.45,-1.04,;-4.12,-.26,)| Show InChI InChI=1S/C18H13Cl3FN3O2/c1-9-16(17(25-27-9)15-12(20)5-2-6-13(15)21)24-18(26)23-8-10-11(19)4-3-7-14(10)22/h2-7H,8H2,1H3,(H2,23,24,26) | PDB
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| n/a | n/a | 8.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418791
(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) | PDB
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| n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418789
(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) | PDB
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| n/a | n/a | 8.71E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418782
(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) | PDB
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| n/a | n/a | >1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418775
(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) | PDB
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| n/a | n/a | 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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)) | BDBM50418778
(CHEMBL1797408)Show SMILES CC(C)Oc1ccc(CNC(=O)Nc2c(C)onc2-c2c(Cl)cncc2Cl)cn1 |(9.77,-47,;8.42,-46.25,;8.4,-44.71,;7.11,-47.05,;5.76,-46.3,;5.73,-44.75,;4.38,-44.01,;3.07,-44.81,;1.73,-44.06,;.41,-44.86,;-.94,-44.11,;-.97,-42.57,;-2.26,-44.9,;-3.73,-44.43,;-4.21,-42.97,;-3.31,-41.72,;-5.75,-42.98,;-6.22,-44.44,;-4.97,-45.35,;-4.97,-46.89,;-6.29,-47.66,;-7.63,-46.89,;-6.3,-49.21,;-4.96,-49.98,;-3.63,-49.21,;-3.63,-47.66,;-2.3,-46.88,;3.09,-46.35,;4.44,-47.09,)| Show InChI InChI=1S/C19H19Cl2N5O3/c1-10(2)28-15-5-4-12(6-23-15)7-24-19(27)25-17-11(3)29-26-18(17)16-13(20)8-22-9-14(16)21/h4-6,8-10H,7H2,1-3H3,(H2,24,25,27) | PDB
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| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50418796
(CHEMBL1797397)Show SMILES Fc1cccc(Cl)c1COC(=O)Nc1conc1-c1c(Cl)cccc1Cl |(-.29,-41.73,;1.04,-40.94,;2.38,-41.69,;3.7,-40.9,;3.67,-39.35,;2.33,-38.61,;2.29,-37.07,;1.02,-39.4,;-.33,-38.66,;-1.65,-39.45,;-2.99,-38.71,;-3.02,-37.17,;-4.31,-39.5,;-5.78,-39.03,;-6.26,-37.57,;-7.8,-37.57,;-8.27,-39.04,;-7.02,-39.95,;-7.02,-41.49,;-8.35,-42.26,;-9.68,-41.49,;-8.35,-43.8,;-7.02,-44.57,;-5.68,-43.8,;-5.68,-42.25,;-4.35,-41.47,)| Show InChI InChI=1S/C17H10Cl3FN2O3/c18-10-3-2-6-13(21)9(10)7-25-17(24)22-14-8-26-23-16(14)15-11(19)4-1-5-12(15)20/h1-6,8H,7H2,(H,22,24) | PDB
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| n/a | n/a | 1.26E+4 | n/a | n/a | n/a | n/a | n/a | n/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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418795
(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) | PDB
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| n/a | n/a | >1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418781
(CHEMBL1797405)Show SMILES CC(C)Oc1ccc(CNC(=O)Nc2c(C)onc2-c2c(C)cccc2C)cn1 |(32.67,-21.53,;31.32,-20.79,;31.28,-19.25,;30,-21.58,;28.66,-20.84,;28.62,-19.29,;27.28,-18.55,;25.97,-19.35,;24.62,-18.6,;23.3,-19.39,;21.96,-18.65,;21.93,-17.11,;20.64,-19.44,;19.17,-18.97,;18.69,-17.51,;19.59,-16.26,;17.15,-17.51,;16.68,-18.98,;17.93,-19.89,;17.93,-21.43,;16.6,-22.2,;15.27,-21.43,;16.6,-23.74,;17.94,-24.51,;19.27,-23.74,;19.27,-22.19,;20.6,-21.42,;25.99,-20.88,;27.33,-21.63,)| Show InChI InChI=1S/C22H26N4O3/c1-13(2)28-18-10-9-17(11-23-18)12-24-22(27)25-20-16(5)29-26-21(20)19-14(3)7-6-8-15(19)4/h6-11,13H,12H2,1-5H3,(H2,24,25,27) | PDB
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| n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418790
(CHEMBL1797390)Show SMILES CN(C)c1cccc(COC(=O)Nc2c(C)onc2-c2c(Cl)cccc2Cl)c1 |(27.14,-8,;25.79,-7.26,;25.76,-5.72,;24.48,-8.06,;24.51,-9.61,;23.19,-10.4,;21.84,-9.65,;21.83,-8.11,;20.48,-7.37,;19.16,-8.16,;17.81,-7.42,;17.78,-5.88,;16.49,-8.21,;15.03,-7.74,;14.55,-6.28,;15.45,-5.03,;13.01,-6.28,;12.53,-7.75,;13.78,-8.66,;13.79,-10.2,;12.46,-10.97,;11.12,-10.2,;12.46,-12.51,;13.79,-13.28,;15.13,-12.51,;15.12,-10.96,;16.45,-10.18,;23.13,-7.32,)| Show InChI InChI=1S/C20H19Cl2N3O3/c1-12-18(19(24-28-12)17-15(21)8-5-9-16(17)22)23-20(26)27-11-13-6-4-7-14(10-13)25(2)3/h4-10H,11H2,1-3H3,(H,23,26) | PDB
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| n/a | n/a | >2.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418777
(CHEMBL1797410)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl |(18.94,3.99,;18.04,2.74,;16.5,2.73,;16.03,1.27,;17.27,.36,;18.52,1.28,;19.98,.81,;21.3,1.6,;21.28,3.14,;22.65,.85,;23.97,1.65,;25.32,.9,;26.62,1.7,;27.97,.96,;28,-.59,;29.35,-1.34,;30.67,-.54,;32.02,-1.29,;32.05,-2.83,;33.34,-.49,;33.34,-2.05,;26.68,-1.38,;25.33,-.64,;17.28,-1.18,;15.95,-1.95,;14.62,-1.18,;15.95,-3.5,;17.28,-4.27,;18.62,-3.5,;18.61,-1.95,;19.94,-1.17,)| Show InChI InChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29) | PDB
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| n/a | n/a | >2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
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 | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50418774
(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) | PDB
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| n/a | n/a | >2.63E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418785
(CHEMBL1797396)Show SMILES COCc1onc(c1NC(=O)OCc1ccccc1Cl)-c1c(Cl)cccc1Cl |(30.29,-24.05,;29.38,-25.3,;30.01,-26.7,;29.11,-27.95,;27.57,-27.96,;27.1,-29.42,;28.35,-30.33,;29.59,-29.42,;31.06,-29.89,;32.38,-29.09,;32.35,-27.55,;33.73,-29.84,;35.05,-29.04,;36.39,-29.79,;36.41,-31.33,;37.76,-32.08,;39.08,-31.28,;39.05,-29.73,;37.7,-29,;37.66,-27.46,;28.35,-31.87,;27.03,-32.64,;25.69,-31.87,;27.02,-34.19,;28.36,-34.96,;29.69,-34.19,;29.69,-32.64,;31.02,-31.86,)| Show InChI InChI=1S/C19H15Cl3N2O4/c1-26-10-15-17(18(24-28-15)16-13(21)7-4-8-14(16)22)23-19(25)27-9-11-5-2-3-6-12(11)20/h2-8H,9-10H2,1H3,(H,23,25) | PDB
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| n/a | n/a | >2.82E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418787
(CHEMBL1797393)Show SMILES CC(C)Oc1ccc(COC(=O)N(C)c2c(C)onc2-c2c(Cl)cccc2Cl)cn1 |(48.65,-19.56,;47.31,-18.81,;47.28,-17.27,;45.99,-19.61,;44.64,-18.86,;44.61,-17.31,;43.26,-16.57,;41.95,-17.37,;40.61,-16.62,;39.29,-17.42,;37.94,-16.67,;37.91,-15.13,;36.62,-17.46,;37.38,-18.79,;35.15,-16.99,;34.67,-15.53,;35.58,-14.28,;33.13,-15.54,;32.66,-17,;33.91,-17.91,;33.92,-19.45,;32.59,-20.22,;31.25,-19.45,;32.58,-21.77,;33.92,-22.54,;35.26,-21.77,;35.25,-20.22,;36.58,-19.44,;41.97,-18.91,;43.32,-19.65,)| Show InChI InChI=1S/C21H21Cl2N3O4/c1-12(2)29-17-9-8-14(10-24-17)11-28-21(27)26(4)20-13(3)30-25-19(20)18-15(22)6-5-7-16(18)23/h5-10,12H,11H2,1-4H3 | PDB
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| n/a | n/a | >2.88E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418794
(CHEMBL1797403)Show SMILES CN(C(=O)NCc1ccc(OC2CCOCC2)nc1)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C23H25ClN4O4/c1-15-22(21(27-32-15)18-5-3-4-6-19(18)24)28(2)23(29)26-14-16-7-8-20(25-13-16)31-17-9-11-30-12-10-17/h3-8,13,17H,9-12,14H2,1-2H3,(H,26,29) | PDB
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| n/a | n/a | >3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418786
(CHEMBL1797394)Show SMILES CN(C(=O)OCc1c(F)cccc1Cl)c1c(C)onc1-c1c(Cl)cccc1Cl |(-4.22,-30.23,;-4.98,-28.91,;-3.66,-28.11,;-3.69,-26.57,;-2.32,-28.86,;-1,-28.06,;.35,-28.81,;.37,-30.35,;-.95,-31.14,;1.71,-31.1,;3.04,-30.3,;3,-28.75,;1.66,-28.02,;1.62,-26.48,;-6.45,-28.44,;-6.93,-26.97,;-6.03,-25.72,;-8.47,-26.98,;-8.94,-28.44,;-7.69,-29.35,;-7.69,-30.89,;-9.02,-31.66,;-10.35,-30.89,;-9.02,-33.21,;-7.68,-33.98,;-6.35,-33.21,;-6.35,-31.66,;-5.02,-30.88,)| Show InChI InChI=1S/C19H14Cl3FN2O3/c1-10-18(17(24-28-10)16-13(21)6-3-7-14(16)22)25(2)19(26)27-9-11-12(20)5-4-8-15(11)23/h3-8H,9H2,1-2H3 | PDB
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| n/a | n/a | >3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418798
(CHEMBL1797411)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(C)cccc1C |(6.37,-16.57,;5.25,-17.62,;3.73,-17.32,;2.99,-18.67,;4.04,-19.8,;5.44,-19.14,;6.79,-19.89,;8.11,-19.1,;8.08,-17.56,;9.45,-19.84,;10.77,-19.05,;12.12,-19.8,;13.42,-19,;14.77,-19.74,;14.8,-21.29,;16.15,-22.03,;16.18,-23.57,;17.53,-24.32,;17.56,-25.86,;18.85,-23.52,;18.85,-25.08,;13.48,-22.08,;12.14,-21.34,;3.75,-21.31,;4.91,-22.3,;6.36,-21.79,;4.62,-23.81,;3.16,-24.32,;2,-23.31,;2.29,-21.8,;1.13,-20.79,)| Show InChI InChI=1S/C22H22F3N3O3/c1-13-5-4-6-14(2)20(13)21-17(15(3)31-28-21)9-18(29)26-10-16-7-8-19(27-11-16)30-12-22(23,24)25/h4-8,11H,9-10,12H2,1-3H3,(H,26,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 5 subunit alpha
(Homo sapiens (Human)) | BDBM50418777
(CHEMBL1797410)Show SMILES Cc1onc(c1CC(=O)NCc1ccc(OCC(F)(F)F)nc1)-c1c(Cl)cccc1Cl |(18.94,3.99,;18.04,2.74,;16.5,2.73,;16.03,1.27,;17.27,.36,;18.52,1.28,;19.98,.81,;21.3,1.6,;21.28,3.14,;22.65,.85,;23.97,1.65,;25.32,.9,;26.62,1.7,;27.97,.96,;28,-.59,;29.35,-1.34,;30.67,-.54,;32.02,-1.29,;32.05,-2.83,;33.34,-.49,;33.34,-2.05,;26.68,-1.38,;25.33,-.64,;17.28,-1.18,;15.95,-1.95,;14.62,-1.18,;15.95,-3.5,;17.28,-4.27,;18.62,-3.5,;18.61,-1.95,;19.94,-1.17,)| Show InChI InChI=1S/C20H16Cl2F3N3O3/c1-11-13(19(28-31-11)18-14(21)3-2-4-15(18)22)7-16(29)26-8-12-5-6-17(27-9-12)30-10-20(23,24)25/h2-6,9H,7-8,10H2,1H3,(H,26,29) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >3.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Nav1.5 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 | |
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