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Found 9 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated sodium channel subunit alpha Nav1.4' AND taxid = 10090   
Target
(Institution)
LigandTarget
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
Voltage-gated sodium channel subunit alpha Nav1.4 (I757A)


(Rattus norvegicus (Rat))
BDBM190233
PNG
(US9174999, Table 1, Compound 1)
Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
Show InChI InChI=1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/s2
PDB

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KEGG
PC cid
PC sid
UniChem

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US Patent
n/an/a 30n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A)


(Rattus norvegicus (Rat))
BDBM190233
PNG
(US9174999, Table 1, Compound 1)
Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
Show InChI InChI=1/C10H17N7O4/c11-6-15-5-4(3-21-8(13)18)14-7(12)17-2-1-9(19,20)10(5,17)16-6/h4-5,19-20H,1-3H2,(H2,12,14)(H2,13,18)(H3,11,15,16)/t4-,5-,10-/s2
PDB

GoogleScholar
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KEGG
PC cid
PC sid
UniChem

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US Patent
n/an/a 90n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Mus musculus)
BDBM50118518
PNG
(CHEMBL3617066)
Show SMILES NCCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@@H]3CSSC[C@H](NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3)C(=O)N[C@@H](CC(N)=O)C(=O)N2)C(O)=O
Show InChI InChI=1/C70H105N27O23S6/c71-12-4-3-9-36-54(105)86-39(15-31-19-81-35-8-2-1-7-33(31)35)57(108)95-47-26-122-121-24-34(72)53(104)93-46-25-123-124-28-49(67(118)97-50(68(119)120)29-126-125-27-48(96-59(110)41(17-51(73)101)88-65(46)116)66(117)92-45(23-100)63(114)91-44(22-99)62(113)83-36)94-56(107)38(11-6-14-80-70(76)77)84-61(112)43(21-98)90-58(109)40(16-32-20-78-30-82-32)87-60(111)42(18-52(102)103)89-55(106)37(85-64(47)115)10-5-13-79-69(74)75/h1-2,7-8,19-20,30,34,36-50,81,98-100H,3-6,9-18,21-29,71-72H2,(H2,73,101)(H,78,82)(H,83,113)(H,84,112)(H,85,115)(H,86,105)(H,87,111)(H,88,116)(H,89,106)(H,90,109)(H,91,114)(H,92,117)(H,93,104)(H,94,107)(H,95,108)(H,96,110)(H,97,118)(H,102,103)(H,119,120)(H4,74,75,79)(H4,76,77,80)/t34-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/s2
PDB

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PubMed
n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.4 channel by two-electrode voltage-clamp method


J Med Chem 58: 7093-118 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (I757A)


(Rattus norvegicus (Rat))
BDBM190238
PNG
(US9174999, Table 1, Compound 6)
Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)N3CCCC3)[C@@H]3NC(=N)N[C@]123
Show InChI InChI=1/C14H23N7O4/c15-10-18-9-8(7-25-12(22)20-4-1-2-5-20)17-11(16)21-6-3-13(23,24)14(9,21)19-10/h8-9,23-24H,1-7H2,(H2,16,17)(H3,15,18,19)/t8-,9-,14-/s2
PDB

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UniChem

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US Patent
n/an/a 100n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (I757A)


(Rattus norvegicus (Rat))
BDBM190237
PNG
(US9174999, Table 1, Compound 5)
Show SMILES CC(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
Show InChI InChI=1/C13H23N7O4/c1-6(2)16-11(21)24-5-7-8-13(19-9(14)18-8)12(22,23)3-4-20(13)10(15)17-7/h6-8,22-23H,3-5H2,1-2H3,(H2,15,17)(H,16,21)(H3,14,18,19)/t7-,8-,13-/s2
PDB

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PC sid
UniChem

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US Patent
n/an/a 175n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A)


(Rattus norvegicus (Rat))
BDBM190238
PNG
(US9174999, Table 1, Compound 6)
Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)N3CCCC3)[C@@H]3NC(=N)N[C@]123
Show InChI InChI=1/C14H23N7O4/c15-10-18-9-8(7-25-12(22)20-4-1-2-5-20)17-11(16)21-6-3-13(23,24)14(9,21)19-10/h8-9,23-24H,1-7H2,(H2,16,17)(H3,15,18,19)/t8-,9-,14-/s2
PDB

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PC cid
PC sid
UniChem

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US Patent
n/an/a 500n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A)


(Rattus norvegicus (Rat))
BDBM190237
PNG
(US9174999, Table 1, Compound 5)
Show SMILES CC(C)NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12
Show InChI InChI=1/C13H23N7O4/c1-6(2)16-11(21)24-5-7-8-13(19-9(14)18-8)12(22,23)3-4-20(13)10(15)17-7/h6-8,22-23H,3-5H2,1-2H3,(H2,15,17)(H,16,21)(H3,14,18,19)/t7-,8-,13-/s2
PDB

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PC sid
UniChem

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US Patent
n/an/a 500n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (I757A)


(Rattus norvegicus (Rat))
BDBM190235
PNG
(US9174999, Table 1, Compound 3 | US9174999, Table ...)
Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)NC3CCCCC3)[C@@H]3NC(=N)N[C@]123
Show InChI InChI=1/C16H27N7O4/c17-12-21-11-10(8-27-14(24)19-9-4-2-1-3-5-9)20-13(18)23-7-6-15(25,26)16(11,23)22-12/h9-11,25-26H,1-8H2,(H2,18,20)(H,19,24)(H3,17,21,22)/t10-,11-,16-/s2
PDB

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UniChem

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US Patent
n/an/a 700n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.4 (M1240A)


(Rattus norvegicus (Rat))
BDBM190235
PNG
(US9174999, Table 1, Compound 3 | US9174999, Table ...)
Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)NC3CCCCC3)[C@@H]3NC(=N)N[C@]123
Show InChI InChI=1/C16H27N7O4/c17-12-21-11-10(8-27-14(24)19-9-4-2-1-3-5-9)20-13(18)23-7-6-15(25,26)16(11,23)22-12/h9-11,25-26H,1-8H2,(H2,18,20)(H,19,24)(H3,17,21,22)/t10-,11-,16-/s2
PDB

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PC sid
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US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



The Board of Trustees of the Leland Stanford Junior University

US Patent


Assay Description
In initial studies, we designed a set of molecules with branching at the nitrogen of the carbamate side chain as well as the carbon adjacent to the n...


US Patent US9174999 (2015)

More data for this
Ligand-Target Pair