Found 7 hits Enz. Inhib. hit(s) with Target = 'Voltage-gated sodium channel alpha subunit Nav1.1' 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 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50118518
(CHEMBL3617066)Show SMILES [H][C@@]12CSSC[C@]3([H])NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](N)C(=O)N1)NC(=O)[C@H](Cc1c[nH]c4ccccc14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSSC[C@H](NC3=O)C(O)=O)NC(=O)[C@H](CC(N)=O)NC2=O |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 channel by two-electrode voltage-clamp method |
J Med Chem 58: 7093-118 (2015)
Article DOI: 10.1021/jm501981g
BindingDB Entry DOI: 10.7270/Q2XS5X6P |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50130521
(CHEMBL3634329)Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C29H30N2O4/c32-24(20-35-27-13-7-6-12-26(27)28(33)21-8-2-1-3-9-21)19-30-16-14-23(15-17-30)31-18-22-10-4-5-11-25(22)29(31)34/h1-13,23-24,32H,14-20H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50130510
(CHEMBL3632698)Show SMILES COc1cc(ccc1COCC(O)CN1CCC(CC1)C(=O)Nc1ccccc1)C(F)(F)F Show InChI InChI=1S/C24H29F3N2O4/c1-32-22-13-19(24(25,26)27)8-7-18(22)15-33-16-21(30)14-29-11-9-17(10-12-29)23(31)28-20-5-3-2-4-6-20/h2-8,13,17,21,30H,9-12,14-16H2,1H3,(H,28,31) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50130527
(CHEMBL3634334)Show InChI InChI=1S/C23H28N2O4/c1-28-21-8-4-5-9-22(21)29-16-19(26)15-24-12-10-18(11-13-24)25-14-17-6-2-3-7-20(17)23(25)27/h2-9,18-19,26H,10-16H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50130535
(CHEMBL3632695)Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F Show InChI InChI=1S/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50117271
(1-(2,6-dimethylphenoxy)-2-propanolamine | 1-(2,6-d...)Show InChI InChI=1S/C11H17NO/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6,10H,7,12H2,1-3H3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 1 subunit alpha [1489-1708]
(Mus musculus) | BDBM50130524
(CHEMBL3634332)Show SMILES OC(COc1cccc(c1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C29H30N2O4/c32-25(20-35-26-11-6-10-22(17-26)28(33)21-7-2-1-3-8-21)19-30-15-13-24(14-16-30)31-18-23-9-4-5-12-27(23)29(31)34/h1-12,17,24-25,32H,13-16,18-20H2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Sankyo Co., Ltd
Curated by ChEMBL
| Assay Description
Inhibition of mouse NaV1.1 by IonWorks quattro automated electrophysiology assay |
Bioorg Med Chem Lett 25: 5419-23 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.005
BindingDB Entry DOI: 10.7270/Q2930W06 |
More data for this
Ligand-Target Pair | |
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