BindingDB logo
myBDB logout

Patent code US9174999

Compile Data Set for Download or QSAR
Found 20 hits of Enzyme Inhibition Constant Data   
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
Sodium channel protein type 4 subunit alpha


(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 |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/an/a 2.40n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190239
PNG
(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/an/a 15n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190241
PNG
(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/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(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 |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/an/a 22.5n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190234
PNG
(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/an/a 26n/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)


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
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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM60830
PNG
(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/an/a 46n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(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 |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/an/a 55n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190240
PNG
(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/an/a 83n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190243
PNG
(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/an/a 87n/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)


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
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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha [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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(Rattus norvegicus (Rat))		BDBM190242
PNG
(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/an/a 135n/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)


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
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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(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 |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/an/a 230n/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)


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
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 |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/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)


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
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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha [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 |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/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)


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
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 |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/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
Sodium channel protein type 4 subunit alpha


(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 |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/an/a 6.00E+5n/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)


BindingDB Entry DOI: 10.7270/Q2C24V68
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%