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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 1/2/3 subunit alpha' and Ligand = 'BDBM50473891'   
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 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50473891
PNG
(CHEMBL2112624)
Show SMILES [H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OC)C2(C)C |r,THB:15:14:20:9.3.2,8:9:20:14.12.13|
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17+,19?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
783n/an/an/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Displacement of [3H]BTX from sodium channel of rat cerebral cortex synaptosomes


J Med Chem 45: 3755-64 (2002)


Article DOI: 10.1021/jm020875j
BindingDB Entry DOI: 10.7270/Q2ZS308Z
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50473891
PNG
(CHEMBL2112624)
Show SMILES [H][C@]12Cc3c(O)cccc3C(C)(CCN1C[C@H](C)OC)C2(C)C |r,THB:15:14:20:9.3.2,8:9:20:14.12.13|
Show InChI InChI=1S/C19H29NO2/c1-13(22-5)12-20-10-9-19(4)15-7-6-8-16(21)14(15)11-17(20)18(19,2)3/h6-8,13,17,21H,9-12H2,1-5H3/t13-,17+,19?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.19E+3n/an/an/an/an/an/a



Boehringer Ingelheim Pharma KG

Curated by ChEMBL


Assay Description
Inhibitory effect against veratridine-induced glutamate release from rat brain slices


J Med Chem 45: 3755-64 (2002)


Article DOI: 10.1021/jm020875j
BindingDB Entry DOI: 10.7270/Q2ZS308Z
More data for this
Ligand-Target Pair