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Compile Data Set for Download or QSAR

Found 1278 hits with Last Name = 'field' and Initial = 'jr'   
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
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436715
PNG
(CHEMBL2398661)
Show SMILES O=C(COc1ccccc1)NCCSc1c[nH]c2ccccc12
Show InChI InChI=1S/C18H18N2O2S/c21-18(13-22-14-6-2-1-3-7-14)19-10-11-23-17-12-20-16-9-5-4-8-15(16)17/h1-9,12,20H,10-11,13H2,(H,19,21)
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PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH]


(Francisella tularensis subsp. tularensis (strain S...)
BDBM50436718
PNG
(CHEMBL1341978)
Show SMILES O=C(CC1CCCCC1)N1CCC(CC1)c1nc(no1)-c1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C25H34N4O4S/c30-23(18-19-6-2-1-3-7-19)28-16-12-21(13-17-28)25-26-24(27-33-25)20-8-10-22(11-9-20)34(31,32)29-14-4-5-15-29/h8-11,19,21H,1-7,12-18H2
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7.00E+3n/an/an/an/an/an/an/an/a



Naval Research Laboratories

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged Francisella tularensis SCHU S4 FabI expressed in Escherichia coli BL21 (DE3) using CrCoA as substrat...


J Med Chem 56: 5275-87 (2014)


Article DOI: 10.1021/jm4001242
BindingDB Entry DOI: 10.7270/Q2D79CTG
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 1n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 2n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
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n/an/a 5n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374015
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
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n/an/a 5n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
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n/an/a 8n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374028
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373956
PNG
(4-((1-benzylpiperidin-4-yl)oxy)-2,6-difluoro-3-met...)
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373891
PNG
((S)-4-((1-benzyl-3-methylpyrrolidin-3-yl)oxy)-2,6-...)
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n/an/a 9n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 10n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373837
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-methylpy...)
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n/an/a 11n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374012
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 11n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 12n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
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n/an/a 13n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373836
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 17n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373768
PNG
((S)-3-chloro-4-((1-(2-fluoro-5-methylbenzyl)pyrrol...)
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n/an/a 21n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374014
PNG
((R)-2-fluoro-5-methyl-4-(methyl(1-(1-phenylethyl)p...)
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n/an/a 21n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373763
PNG
((S)-3-chloro-4-((1-(3-chlorobenzyl)pyrrolidin-3-yl...)
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n/an/a 21n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373957
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-(trifluo...)
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n/an/a 24n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373807
PNG
(4-((trans-1-benzyl-4-methylpyrrolidin-3-yl)amino)-...)
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n/an/a 25n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373837
PNG
((S)-2,6-difluoro-3-methyl-4-(methyl(1-((6-methylpy...)
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n/an/a 26n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374010
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
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n/an/a 27n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373816
PNG
((S)-3-chloro-4-(methyl(1-(3-methylbenzyl)pyrrolidi...)
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n/an/a 29n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373764
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
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n/an/a 29n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373749
PNG
(4-(((1R,3s,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3...)
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n/an/a 30n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373961
PNG
(US10246453, Example 228 | rac-4-((1-benzyl-3-methy...)
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n/an/a 31n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373788
PNG
((R)-3-chloro-4-((1-(1-phenylethyl)piperidin-4-yl)o...)
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n/an/a 32n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373839
PNG
(4-((1-benzylpiperidin-4-yl)oxy)-2,6-difluoro-3-met...)
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n/an/a 34n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373816
PNG
((S)-3-chloro-4-(methyl(1-(3-methylbenzyl)pyrrolidi...)
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n/an/a 36n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373761
PNG
((S)-3-chloro-4-((1-(3-(difluoromethyl)benzyl)pyrro...)
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n/an/a 36n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374016
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
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n/an/a 37n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373767
PNG
((S)-3-chloro-4-((1-(2-fluoro-3-methylbenzyl)pyrrol...)
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n/an/a 39n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373821
PNG
((R)-5-chloro-2-fluoro-4-(1-(3-methylbenzyl)pyrroli...)
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n/an/a 39n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373766
PNG
((S)-3-chloro-4-((1-(5-chloro-2-fluorobenzyl)pyrrol...)
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n/an/a 41n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374031
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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n/an/a 43n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373968
PNG
((S)-2,6-difluoro-4-((1-(3-fluorobenzyl)pyrrolidin-...)
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n/an/a 47n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373765
PNG
((S)-3-chloro-4-((1-(3-chloro-2-fluorobenzyl)pyrrol...)
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n/an/a 47n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373840
PNG
((S)-2-fluoro-4-((1-((2-isopropylthiazol-4-yl)methy...)
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n/an/a 49n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373871
PNG
((S)-4-((1-((2-cyclopropylthiazol-4-yl)methyl)pyrro...)
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n/an/a 50n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373834
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2-f...)
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n/an/a 54n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373815
PNG
(3-chloro-4-(1-((6-methylpyridin-2-yl)methyl)piperi...)
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n/an/a 56n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373851
PNG
((S)-2-fluoro-5-methyl-4-(methyl(1-((1-(2,2,2-trifl...)
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UniChem
Article
n/an/a 58n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373762
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-3-c...)
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UniChem
Article
n/an/a 60n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373836
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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UniChem
Article
n/an/a 61n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374029
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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UniChem
Article
n/an/a 62n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM373970
PNG
((S)-4-((1-(2,3-difluorobenzyl)pyrrolidin-3-yl)(met...)
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Article
n/an/a 64n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374012
PNG
((S)-4-((1-benzylpyrrolidin-3-yl)(methyl)amino)-2,6...)
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Article
n/an/a 64n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374000
PNG
((S)-3-chloro-2,6-difluoro-4-(methyl(1-((6-methylpy...)
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Article
n/an/a 66n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM374016
PNG
((R)-2,6-difluoro-3-methyl-4-((1-(1-phenylethyl)pip...)
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Article
n/an/a 67n/an/an/an/an/an/a



St. Jude Research Hospital





J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
More data for this
Ligand-Target Pair
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