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Compile Data Set for Download or QSAR

Found 5 hits of ec50 for UniProtKB: Q99250   
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 alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233221
PNG
(CHEMBL4064160)
Show SMILES CCCCCCCCCC[C@H]1NC(=N)N[C@@]2(CCCO2)[C@H]1C(O)=O
Show InChI InChI=1/C18H33N3O3/c1-2-3-4-5-6-7-8-9-11-14-15(16(22)23)18(12-10-13-24-18)21-17(19)20-14/h14-15H,2-13H2,1H3,(H,22,23)(H3,19,20,21)/t14-,15-,18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.30n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 27: 1247-1251 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233223
PNG
(CHEMBL4060338)
Show SMILES CCCCCCCCCC[C@@H]1C[C@]2(CCCO2)NC(=N)N1
Show InChI InChI=1/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 12n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 27: 1247-1251 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233222
PNG
(CHEMBL4082248)
Show SMILES CCCCCCCCCC[C@@H]1NC(=N)N[C@]2(CCCO2)[C@@H]1C(O)=O
Show InChI InChI=1/C18H33N3O3/c1-2-3-4-5-6-7-8-9-11-14-15(16(22)23)18(12-10-13-24-18)21-17(19)20-14/h14-15H,2-13H2,1H3,(H,22,23)(H3,19,20,21)/t14-,15-,18-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 79n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 27: 1247-1251 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Sodium channel alpha subunits; brain (Types I, II, III)


(Homo sapiens (Human))
BDBM50233224
PNG
(CHEMBL4070670)
Show SMILES CCCCCCCCCC[C@H]1C[C@@]2(CCCO2)NC(=N)N1
Show InChI InChI=1/C17H33N3O/c1-2-3-4-5-6-7-8-9-11-15-14-17(12-10-13-21-17)20-16(18)19-15/h15H,2-14H2,1H3,(H3,18,19,20)/t15-,17-/s2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Tohoku University

Curated by ChEMBL


Assay Description
Inhibition of Nav1.2 (unknown origin) by cell based assay


Bioorg Med Chem Lett 27: 1247-1251 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.054
BindingDB Entry DOI: 10.7270/Q2XG9TC3
More data for this
Ligand-Target Pair
Voltage-gated sodium channel subunit alpha Nav1.2 (Nav1.2)


(Homo sapiens (Human))
BDBM168436
PNG
(US9675591, SKA-19)
Show SMILES Nc1nc2ccc(SC(F)(F)F)cc2s1
Show InChI InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem
US Patent
n/an/an/an/a 7.90E+3n/an/a7.3525



The Regents of the University of California

US Patent


Assay Description
All experiments were conducted at room temperature (22-24 C.) with an EPC-10 amplifier and Pulse software (HEKA, Lambrecht/Pfalz, Germany) in the wh...


US Patent US9675591 (2017)


BindingDB Entry DOI: 10.7270/Q26T0JSP
More data for this
Ligand-Target Pair