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Compile Data Set for Download or QSAR

Found 15 hits of ki for UniProtKB: Q99250   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50171290
PNG
(5-(4-Bromo-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl...)
Show SMILES CCc1c(nn(c1-c1ccc(Br)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-10-17(25)14-19(20)26)22(18)15-6-8-16(24)9-7-15/h6-11,14H,2-5,12-13H2,1H3,(H,28,31)
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Sanofi-Synthelabo Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 310: 905-14 (2004)


Article DOI: 10.1124/jpet.104.067884
BindingDB Entry DOI: 10.7270/Q2RR1WTX
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50049750
PNG
((S)-3-(azetidin-2-ylmethoxy)pyridine | 3-((S)-1-Az...)
Show SMILES C(Oc1cccnc1)[C@@H]1CCN1
Show InChI InChI=1S/C9H12N2O/c1-2-9(6-10-4-1)12-7-8-3-5-11-8/h1-2,4,6,8,11H,3,5,7H2/t8-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Neuropharmacology 35: 725-34 (1996)


Article DOI: 10.1016/0028-3908(96)84644-2
BindingDB Entry DOI: 10.7270/Q237777N
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM21280
PNG
(5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)met...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2[C@@]3(C)CCC(C3)C2(C)C)cc1
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)/t22?,27?,29-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Sanofi Recherche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 284: 644-50 (1998)


BindingDB Entry DOI: 10.7270/Q2D50KHT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM152638
PNG
(4-(1,3-Dioxoisoindolin-2-yl)benzenesulphonamide (1...)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H24N4S/c35-30(33-21-8-2-1-3-9-21)34-22-16-14-20(15-17-22)29(25-18-31-27-12-6-4-10-23(25)27)26-19-32-28-13-7-5-11-24(26)28/h1-19,29,31-32H,(H2,33,34,35)
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Article
1.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488718
PNG
(CHEMBL2298874)
Show SMILES CC(=O)Nc1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H12N2O3/c1-10(19)17-11-6-8-12(9-7-11)18-15(20)13-4-2-3-5-14(13)16(18)21/h2-9H,1H3,(H,17,19)
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Article
1.83E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488723
PNG
(CHEMBL2298877)
Show SMILES COc1ccc(N2C(=O)c3ccccc3C2=O)c(N)c1
Show InChI InChI=1S/C15H12N2O3/c1-20-9-6-7-13(12(16)8-9)17-14(18)10-4-2-3-5-11(10)15(17)19/h2-8H,16H2,1H3
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Article
2.03E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488721
PNG
(CHEMBL2430974)
Show SMILES [O-][N+](=O)c1cccc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-11-6-1-2-7-12(11)14(18)15(13)9-4-3-5-10(8-9)16(19)20/h1-8H
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2.18E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM45791
PNG
(4-(1,3-dioxo-2-isoindolyl)benzoic acid | 4-(1,3-di...)
Show SMILES OC(=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-8H,(H,19,20)
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5.04E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50101816
PNG
(CHEBI:8107 | Dilabid | Dilantin | Dilantin-125 | D...)
Show SMILES OC1=NC(=O)C(N1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
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5.34E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488724
PNG
(CHEMBL2298875)
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C10H6N4O4S2/c11-20(17,18)10-13-12-9(19-10)14-7(15)5-3-1-2-4-6(5)8(14)16/h1-4H,(H2,11,17,18)
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Article
6.11E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488720
PNG
(CHEMBL27783)
Show SMILES [O-][N+](=O)c1ccc(cc1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-11-3-1-2-4-12(11)14(18)15(13)9-5-7-10(8-6-9)16(19)20/h1-8H
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6.56E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488717
PNG
(CHEMBL1972820)
Show SMILES OC(=O)c1ccc(cc1O)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO5/c17-12-7-8(5-6-11(12)15(20)21)16-13(18)9-3-1-2-4-10(9)14(16)19/h1-7,17H,(H,20,21)
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Article
7.84E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488719
PNG
(CHEMBL2298876)
Show SMILES COc1ccc(N2C(=O)c3ccccc3C2=O)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H10N2O5/c1-22-9-6-7-12(13(8-9)17(20)21)16-14(18)10-4-2-3-5-11(10)15(16)19/h2-8H,1H3
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1.08E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488722
PNG
(CHEMBL97672)
Show SMILES [O-][N+](=O)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C14H8N2O4/c17-13-9-5-1-2-6-10(9)14(18)15(13)11-7-3-4-8-12(11)16(19)20/h1-8H
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1.34E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair
Sodium channel protein type 2 alpha subunit


(Homo sapiens (Human))
BDBM50488725
PNG
(N-PHTHALOYLANTHRANILIC ACID | N-Phthaloylanthranil...)
Show SMILES OC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H9NO4/c17-13-9-5-1-2-6-10(9)14(18)16(13)12-8-4-3-7-11(12)15(19)20/h1-8H,(H,19,20)
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3.38E+5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to Nav 1.2 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-012-0256-y
BindingDB Entry DOI: 10.7270/Q20P12XT
More data for this
Ligand-Target Pair