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SMILES: OC1(O)CCN2C(=N)N[C@@H](COC(=O)NC3CCCCC3)[C@@H]3NC(=N)N[C@]123

InChI Key: InChIKey=DMNGGGFGCGRWLA-MMPTUQATSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 190235   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
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))
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 [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


(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