Found 29 hits of ic50 for UniProtKB: P15390 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190233
(US9174999, Table 1, Compound 1)Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190239
(US9174999, Table 1, Compound 7)Show SMILES CCCCCC[N+](C)(C)CCCCCC(=O)NCCCCCCNC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/C30H57N9O5/c1-4-5-6-13-20-39(2,3)21-14-9-10-15-24(40)33-17-11-7-8-12-18-34-28(41)44-22-23-25-30(37-26(31)36-25)29(42,43)16-19-38(30)27(32)35-23/h23,25,42-43H,4-22H2,1-3H3,(H6-,31,32,33,34,35,36,37,40,41)/p+1/t23-,25-,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190241
(US9174999, 10)Show SMILES [NH3+]CCCCCCNC(=O)OCC1NC(=[NH2+])CCCC(O)(O)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C17H33N7O4/c18-8-3-1-2-4-9-21-16(25)28-10-11-13-14(24-15(20)23-13)17(26,27)7-5-6-12(19)22-11/h11,13-14,26-27H,1-10,18H2,(H2,19,22)(H,21,25)(H3,20,23,24)/p+3 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190238
(US9174999, Table 1, Compound 6)Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)N3CCCC3)[C@@H]3NC(=N)N[C@]123 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 22.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190234
(US9174999, 8)Show SMILES CCCCCCNC(=O)OCC1NC(=[NH2+])CCCC(O)(O)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C17H32N6O4/c1-2-3-4-5-9-20-16(24)27-10-11-13-14(23-15(19)22-13)17(25,26)8-6-7-12(18)21-11/h11,13-14,25-26H,2-10H2,1H3,(H2,18,21)(H,20,24)(H3,19,22,23)/p+2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [I757A]
(Rattus norvegicus (Rat)) | BDBM190233
(US9174999, Table 1, Compound 1)Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM60830
(US9174999, 13)Show SMILES OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCCCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C30H39N7O6/c31-23-10-7-15-30(41,42)26-24(36-28(32)37-26)22(35-23)18-43-29(40)34-17-6-2-5-16-33-27(39)21-13-11-20(12-14-21)25(38)19-8-3-1-4-9-19/h1,3-4,8-9,11-14,22,24,26,41-42H,2,5-7,10,15-18H2,(H2,31,35)(H,33,39)(H,34,40)(H3,32,36,37)/p+2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190237
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50520482
(CHEMBL4562161)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC3=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C1=O |r| Show InChI InChI=1S/C100H170N38O32S6/c1-46(76(108)149)118-87(160)62-40-171-172-41-63-88(161)122-52(15-3-7-25-101)80(153)128-61(36-74(147)148)85(158)121-55(19-12-30-116-99(111)112)79(152)123-57(21-23-71(106)143)84(157)131-64-42-173-175-44-66(132-86(159)60(35-73(145)146)127-77(150)51(105)14-11-29-115-98(109)110)91(164)134-67(92(165)135-75(47(2)139)97(170)138-39-50(142)34-70(138)96(169)137-38-49(141)33-69(137)94(167)124-54(17-5-9-27-103)78(151)119-53(81(154)129-63)16-4-8-26-102)45-176-174-43-65(90(163)133-62)130-82(155)56(20-13-31-117-100(113)114)120-83(156)58(22-24-72(107)144)125-93(166)68-32-48(140)37-136(68)95(168)59(126-89(64)162)18-6-10-28-104/h46-70,75,139-142H,3-45,101-105H2,1-2H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,160)(H,119,151)(H,120,156)(H,121,158)(H,122,161)(H,123,152)(H,124,167)(H,125,166)(H,126,162)(H,127,150)(H,128,153)(H,129,154)(H,130,155)(H,131,157)(H,132,159)(H,133,163)(H,134,164)(H,135,165)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47+,48+,49+,50+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in HEK293 cells at -80 mV holding potential by whole cell patch-clamp assay |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190240
(US9174999, 9)Show SMILES CC(C)NC(=O)OCC1NC(=[NH2+])CCCC(O)(O)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C14H26N6O4/c1-7(2)17-13(21)24-6-8-10-11(20-12(16)19-10)14(22,23)5-3-4-9(15)18-8/h7-8,10-11,22-23H,3-6H2,1-2H3,(H2,15,18)(H,17,21)(H3,16,19,20)/p+2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50505256
(CHEMBL4547737)Show SMILES [H][C@@]12NC(=N)N[C@]11N(CCC1(O)O)C(=N)N[C@H]2COC(C)=O |r| Show InChI InChI=1S/C11H18N6O4/c1-5(18)21-4-6-7-11(16-8(12)15-7)10(19,20)2-3-17(11)9(13)14-6/h6-7,19-20H,2-4H2,1H3,(H2,13,14)(H3,12,15,16)/t6-,7-,11-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00378
BindingDB Entry DOI: 10.7270/Q2SF3151 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190243
(US9174999, 12)Show SMILES OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCNC(=O)c2ccc(cc2)C(=O)c2ccccc2)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C27H33N7O6/c28-20-7-4-12-27(38,39)23-21(33-25(29)34-23)19(32-20)15-40-26(37)31-14-13-30-24(36)18-10-8-17(9-11-18)22(35)16-5-2-1-3-6-16/h1-3,5-6,8-11,19,21,23,38-39H,4,7,12-15H2,(H2,28,32)(H,30,36)(H,31,37)(H3,29,33,34)/p+2 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [M1240A]
(Rattus norvegicus (Rat)) | BDBM190233
(US9174999, Table 1, Compound 1)Show SMILES NC(=O)OC[C@@H]1NC(=N)N2CCC(O)(O)[C@@]22NC(=N)N[C@@H]12 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50242400
(CCNCSSKWCRDHSRCC | CHEMBL525818)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](CCCN=C(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](CCCN=C(N)N)C(=O)N3)C(=O)N[C@H](CC(N)=O)C(=O)N2)C(N)=O |r,wU:66.69,85.88,21.127,95.99,101.105,9.9,30.115,115.120,49.49,35.35,wD:45.45,77.80,26.128,15.15,5.4,39.39,(33.73,-5.52,;32.41,-6.3,;32.42,-7.84,;31.09,-8.63,;31.1,-10.17,;29.78,-10.95,;29.81,-9.4,;28.48,-8.61,;27.14,-9.36,;28.51,-7.05,;29.85,-6.3,;31.18,-7.08,;27.17,-6.26,;27.2,-4.71,;28.54,-3.95,;25.87,-3.93,;24.53,-4.69,;24.52,-6.23,;25.88,-2.38,;24.54,-1.59,;24.55,-.05,;23.2,-2.36,;21.87,-1.58,;20.53,-2.35,;19.2,-1.57,;17.87,-2.34,;16.54,-1.56,;15.21,-2.34,;15.21,-3.88,;16.55,-4.65,;13.9,-4.65,;12.56,-3.88,;11.23,-4.65,;15.2,-6.98,;16.53,-6.21,;17.86,-6.98,;17.86,-8.52,;16.53,-9.29,;15.19,-8.52,;16.53,-10.83,;15.19,-11.6,;17.86,-11.6,;19.19,-10.84,;24.41,-10.84,;25.74,-11.6,;25.75,-13.15,;27.06,-13.95,;28.39,-13.22,;28.38,-11.67,;29.71,-14.02,;29.67,-15.56,;30.99,-16.36,;31.12,-17.9,;32.62,-18.25,;33.41,-16.93,;34.92,-16.65,;35.43,-15.2,;34.42,-14.04,;32.92,-14.33,;32.42,-15.77,;31.06,-13.28,;31.1,-11.74,;32.45,-10.99,;24.42,-13.88,;24.38,-15.42,;23.12,-13.08,;21.89,-13.71,;21.87,-15.25,;23.19,-16.04,;23.16,-17.58,;24.48,-18.38,;24.46,-19.92,;25.78,-20.71,;23.11,-20.66,;20.57,-12.97,;20.55,-11.43,;19.26,-13.76,;17.86,-13.14,;17.92,-14.55,;19.25,-15.34,;19.23,-16.88,;20.59,-14.58,;16.62,-13.81,;16.65,-15.35,;15.28,-13.07,;13.95,-13.86,;13.97,-15.4,;12.65,-16.19,;12.5,-17.73,;10.99,-18.07,;10.21,-16.74,;11.22,-15.58,;12.61,-13.12,;12.6,-11.58,;11.28,-13.9,;9.93,-13.14,;8.6,-13.92,;7.26,-13.16,;9.92,-11.6,;8.58,-10.84,;11.24,-10.81,;11.24,-9.27,;9.9,-8.51,;9.89,-6.97,;8.55,-6.21,;8.54,-4.67,;7.2,-3.9,;7.19,-2.36,;5.87,-4.68,;12.56,-8.49,;13.9,-9.25,;12.57,-6.96,;19.2,-6.22,;19.2,-4.68,;20.53,-6.99,;21.86,-6.22,;23.2,-6.99,;23.2,-8.53,;21.86,-9.3,;24.53,-9.3,;21.87,-4.68,;20.53,-3.91,;23.2,-3.91,;16.54,-.02,;17.87,.75,;15.21,.75,)| Show InChI InChI=1S/C70H106N28O22S6/c71-12-4-3-9-36-55(107)87-39(15-31-19-82-35-8-2-1-7-33(31)35)58(110)97-48-27-123-121-24-34(72)54(106)95-47-26-125-126-29-50(68(120)94-46(53(74)105)25-122-124-28-49(98-60(112)41(17-51(73)102)89-66(47)118)67(119)93-45(23-101)64(116)92-44(22-100)63(115)84-36)96-57(109)38(11-6-14-81-70(77)78)85-62(114)43(21-99)91-59(111)40(16-32-20-79-30-83-32)88-61(113)42(18-52(103)104)90-56(108)37(86-65(48)117)10-5-13-80-69(75)76/h1-2,7-8,19-20,30,34,36-50,82,99-101H,3-6,9-18,21-29,71-72H2,(H2,73,102)(H2,74,105)(H,79,83)(H,84,115)(H,85,114)(H,86,117)(H,87,107)(H,88,113)(H,89,118)(H,90,108)(H,91,111)(H,92,116)(H,93,119)(H,94,120)(H,95,106)(H,96,109)(H,97,110)(H,98,112)(H,103,104)(H4,75,76,80)(H4,77,78,81)/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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Utah
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 channel expressed in Xenopus oocytes by whole cell voltage clamp technique |
J Biol Chem 282: 30699-706 (2007)
Article DOI: 10.1074/jbc.M704616200
BindingDB Entry DOI: 10.7270/Q2028RBX |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [I757A]
(Rattus norvegicus (Rat)) | BDBM190238
(US9174999, Table 1, Compound 6)Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)N3CCCC3)[C@@H]3NC(=N)N[C@]123 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190242
(US9174999, 11)Show SMILES OC1(O)CCCC(=[NH2+])NC(COC(=O)NCCCCCC([O-])=O)C2NC(=[NH2+])NC12 Show InChI InChI=1S/C17H30N6O6/c18-11-5-4-7-17(27,28)14-13(22-15(19)23-14)10(21-11)9-29-16(26)20-8-3-1-2-6-12(24)25/h10,13-14,27-28H,1-9H2,(H2,18,21)(H,20,26)(H,24,25)(H3,19,22,23)/p+1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [I757A]
(Rattus norvegicus (Rat)) | BDBM190237
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190235
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [M1240A]
(Rattus norvegicus (Rat)) | BDBM190237
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [M1240A]
(Rattus norvegicus (Rat)) | BDBM190238
(US9174999, Table 1, Compound 6)Show SMILES OC1(O)CCN2C(=N)N[C@@H](COC(=O)N3CCCC3)[C@@H]3NC(=N)N[C@]123 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50117922
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Idorsia Pharmaceuticals Ltd.
Curated by ChEMBL
| Assay Description
Inhibition of rat skeletal muscle Nav1.4 expressed in HEK293 cells by whole cell voltage clamp method |
J Med Chem 60: 9769-9789 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01236
BindingDB Entry DOI: 10.7270/Q24M9745 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [I757A]
(Rattus norvegicus (Rat)) | BDBM190235
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha [M1240A]
(Rattus norvegicus (Rat)) | BDBM190235
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50520483
(CHEMBL4524508)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C100H172N38O32S4/c1-46(76(108)149)118-89(162)64-42-171-172-43-65-90(163)124-54(17-5-9-27-101)83(156)130-63(38-74(147)148)88(161)123-57(21-14-32-116-99(111)112)82(155)125-59(23-25-71(106)143)80(153)119-47(2)77(150)128-61(20-8-12-30-104)95(168)136-39-50(140)34-68(136)93(166)127-60(24-26-72(107)144)86(159)122-58(22-15-33-117-100(113)114)85(158)133-66(91(164)134-64)44-173-174-45-67(131-78(151)48(3)120-87(160)62(37-73(145)146)129-79(152)53(105)16-13-31-115-98(109)110)92(165)135-75(49(4)139)97(170)138-41-52(142)36-70(138)96(169)137-40-51(141)35-69(137)94(167)126-56(19-7-11-29-103)81(154)121-55(84(157)132-65)18-6-10-28-102/h46-70,75,139-142H,5-45,101-105H2,1-4H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,162)(H,119,153)(H,120,160)(H,121,154)(H,122,159)(H,123,161)(H,124,163)(H,125,155)(H,126,167)(H,127,166)(H,128,150)(H,129,152)(H,130,156)(H,131,151)(H,132,157)(H,133,158)(H,134,164)(H,135,165)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in HEK293 cells at -80 mV holding potential by whole cell patch-clamp assay |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50520498
(CHEMBL4549446)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](C)C(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C1=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N |r| Show InChI InChI=1S/C100H172N38O32S4/c1-46(76(108)149)118-89(162)64-42-171-173-44-66-91(164)124-54(17-5-9-27-101)83(156)130-63(38-74(147)148)87(160)123-58(22-15-33-117-100(113)114)82(155)125-59(23-25-71(106)143)86(159)133-67(92(165)128-61(20-8-12-30-104)95(168)136-39-50(140)34-68(136)93(166)127-60(24-26-72(107)144)85(158)122-57(21-14-32-116-99(111)112)80(153)119-47(2)77(150)131-64)45-174-172-43-65(134-88(161)62(37-73(145)146)129-79(152)53(105)16-13-31-115-98(109)110)90(163)120-48(3)78(151)135-75(49(4)139)97(170)138-41-52(142)36-70(138)96(169)137-40-51(141)35-69(137)94(167)126-56(19-7-11-29-103)81(154)121-55(84(157)132-66)18-6-10-28-102/h46-70,75,139-142H,5-45,101-105H2,1-4H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,162)(H,119,153)(H,120,163)(H,121,154)(H,122,158)(H,123,160)(H,124,164)(H,125,155)(H,126,167)(H,127,166)(H,128,165)(H,129,152)(H,130,156)(H,131,150)(H,132,157)(H,133,159)(H,134,161)(H,135,151)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in HEK293 cells at -80 mV holding potential by whole cell patch-clamp assay |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50520484
(CHEMBL4567033)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCCNC(N)=N)C(=O)N2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H]2C[C@@H](O)CN2C1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |r| Show InChI InChI=1S/C100H172N38O32S4/c1-46(76(108)149)118-77(150)47(2)120-89(162)64-42-171-174-45-67-92(165)135-75(49(4)139)97(170)138-41-52(142)36-70(138)96(169)137-40-51(141)35-69(137)94(167)126-56(19-7-11-29-103)81(154)122-54(17-5-9-27-101)80(153)119-48(3)78(151)121-55(18-6-10-28-102)83(156)130-63(38-74(147)148)87(160)124-57(21-14-32-116-99(111)112)82(155)125-59(23-25-71(106)143)86(159)132-65(43-172-173-44-66(91(164)134-67)133-88(161)62(37-73(145)146)129-79(152)53(105)16-13-31-115-98(109)110)90(163)128-61(20-8-12-30-104)95(168)136-39-50(140)34-68(136)93(166)127-60(24-26-72(107)144)85(158)123-58(84(157)131-64)22-15-33-117-100(113)114/h46-70,75,139-142H,5-45,101-105H2,1-4H3,(H2,106,143)(H2,107,144)(H2,108,149)(H,118,150)(H,119,153)(H,120,162)(H,121,151)(H,122,154)(H,123,158)(H,124,160)(H,125,155)(H,126,167)(H,127,166)(H,128,163)(H,129,152)(H,130,156)(H,131,157)(H,132,159)(H,133,161)(H,134,164)(H,135,165)(H,145,146)(H,147,148)(H4,109,110,115)(H4,111,112,116)(H4,113,114,117)/t46-,47-,48-,49+,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,75-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.58E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Hainan University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in HEK293 cells at -80 mV holding potential by whole cell patch-clamp assay |
J Med Chem 63: 1564-1575 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01409
BindingDB Entry DOI: 10.7270/Q2SQ93SZ |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50357365
(CHEMBL1917113)Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(15.7,-6.02,;15.75,-7.56,;17.12,-8.27,;14.45,-8.38,;14.51,-9.92,;15.89,-10.62,;15.96,-12.17,;17.32,-12.87,;17.39,-14.42,;18.76,-15.12,;13.22,-10.75,;11.85,-10.03,;13.29,-12.27,;11.99,-13.1,;10.62,-12.4,;9.32,-13.23,;9.23,-14.77,;7.75,-15.15,;6.91,-13.85,;5.39,-13.6,;4.86,-12.15,;5.83,-10.96,;7.34,-11.22,;7.89,-12.66,;12.06,-14.65,;13.42,-15.36,;10.76,-15.48,;10.82,-17.01,;12.2,-17.73,;12.26,-19.26,;10.96,-20.09,;13.84,-20.4,;15.19,-19.66,;16.51,-20.46,;16.47,-22,;15.12,-22.74,;15.08,-24.28,;13.73,-25.02,;12.41,-24.22,;12.46,-22.68,;11.07,-24.96,;11.02,-26.49,;12.34,-27.3,;13.77,-26.71,;14.76,-27.88,;13.96,-29.19,;12.47,-28.83,;9.75,-24.15,;8.39,-24.9,;8.36,-26.43,;7.07,-24.09,;5.74,-24.86,;4.4,-24.08,;4.4,-22.54,;3.06,-24.85,;7.04,-22.54,;8.36,-21.74,;9.72,-22.47,;8.3,-20.21,;6.93,-19.49,;5.63,-20.33,;4.26,-19.61,;2.97,-20.44,;1.6,-19.73,;1.53,-18.19,;.3,-20.56,;9.59,-19.38,;9.53,-17.85,;8.16,-17.13,;16.39,-25.08,;16.36,-26.62,;17.75,-24.34,;19.07,-25.15,;19.03,-26.68,;20.34,-27.49,;20.31,-29.03,;21.62,-29.83,;21.59,-31.37,;20.24,-32.11,;22.9,-32.17,;20.41,-24.4,;21.73,-25.21,;20.45,-22.87,)| Show InChI InChI=1S/C51H78N20O12/c1-27(72)64-33(12-4-6-16-52)43(77)68-36(20-28-24-62-31-11-3-2-10-30(28)31)46(80)70-38-22-40(73)59-17-7-5-13-34(44(78)65-32(42(53)76)14-8-18-60-50(54)55)66-47(81)37(21-29-25-58-26-63-29)69-49(83)39(23-41(74)75)71-45(79)35(67-48(38)82)15-9-19-61-51(56)57/h2-3,10-11,24-26,32-39,62H,4-9,12-23,52H2,1H3,(H2,53,76)(H,58,63)(H,59,73)(H,64,72)(H,65,78)(H,66,81)(H,67,82)(H,68,77)(H,69,83)(H,70,80)(H,71,79)(H,74,75)(H4,54,55,60)(H4,56,57,61)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.43E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two... |
J Med Chem 54: 7558-66 (2011)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM50357366
(CHEMBL1917112)Show SMILES CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC1=O)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O |r,wU:4.3,27.28,36.72,wD:13.12,58.61,40.42,72.75,50.53,(13.52,-4.74,;13.58,-6.28,;14.94,-6.99,;12.27,-7.1,;12.33,-8.63,;13.71,-9.34,;13.78,-10.89,;15.14,-11.59,;15.21,-13.14,;16.58,-13.84,;11.04,-9.46,;9.68,-8.74,;11.11,-10.99,;9.82,-11.82,;8.44,-11.12,;7.14,-11.94,;7.05,-13.48,;5.57,-13.87,;4.73,-12.56,;3.22,-12.31,;2.68,-10.87,;3.65,-9.68,;5.16,-9.94,;5.71,-11.38,;9.89,-13.37,;11.25,-14.08,;8.58,-14.2,;8.64,-15.73,;10.02,-16.44,;10.08,-17.98,;11.44,-18.69,;12.74,-17.86,;14.11,-18.58,;14.28,-20.72,;15.6,-21.52,;12.94,-21.46,;12.91,-23,;11.55,-23.74,;10.23,-22.94,;10.28,-21.4,;8.89,-23.67,;8.84,-25.21,;10.16,-26.01,;11.59,-25.43,;12.59,-26.6,;11.78,-27.91,;10.29,-27.55,;7.57,-22.87,;6.22,-23.62,;6.18,-25.15,;4.89,-22.81,;3.56,-23.57,;2.23,-22.8,;2.22,-21.26,;.89,-23.57,;4.86,-21.26,;6.18,-20.46,;7.54,-21.19,;6.12,-18.93,;4.75,-18.21,;3.45,-19.04,;2.08,-18.33,;.79,-19.16,;-.58,-18.45,;-.64,-16.91,;-1.88,-19.28,;7.41,-18.09,;7.35,-16.56,;5.99,-15.85,;14.21,-23.8,;14.19,-25.34,;15.57,-23.06,;16.89,-23.86,;16.85,-25.4,;18.17,-26.2,;18.13,-27.75,;19.45,-28.54,;19.41,-30.09,;18.06,-30.82,;20.73,-30.88,;18.24,-23.12,;19.55,-23.92,;18.28,-21.59,)| Show InChI InChI=1S/C51H78N20O12/c1-27(72)64-33(12-4-6-16-52)43(77)68-36(20-28-24-62-31-11-3-2-10-30(28)31)46(80)67-34-13-5-7-17-59-40(73)22-38(48(82)65-32(42(53)76)14-8-18-60-50(54)55)70-47(81)37(21-29-25-58-26-63-29)69-49(83)39(23-41(74)75)71-45(79)35(66-44(34)78)15-9-19-61-51(56)57/h2-3,10-11,24-26,32-39,62H,4-9,12-23,52H2,1H3,(H2,53,76)(H,58,63)(H,59,73)(H,64,72)(H,65,82)(H,66,78)(H,67,80)(H,68,77)(H,69,83)(H,70,81)(H,71,79)(H,74,75)(H4,54,55,60)(H4,56,57,61)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.04E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description
Inhibition of rat Nav1.4 expressed in Xenopus oocytes assessed as blockage of voltage-activated sodium current at holding potential of -100 mV by two... |
J Med Chem 54: 7558-66 (2011)
Article DOI: 10.1021/jm200839a
BindingDB Entry DOI: 10.7270/Q2N016XG |
More data for this
Ligand-Target Pair | |
Sodium channel protein type 4 subunit alpha
(Rattus norvegicus (Rat)) | BDBM190235
(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 |r| Show InChI InChI=1S/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-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| US Patent
| n/a | n/a | 6.00E+5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2C24V68 |
More data for this
Ligand-Target Pair | |
Search and Browse
