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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 = 'BDBM50473875'   
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)
BDBM50473875
PNG
(CHEMBL2111814)
Show SMILES [H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23+,25?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
312n/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)
BDBM50473875
PNG
(CHEMBL2111814)
Show SMILES [H][C@]12Cc3cc(O)ccc3C(C)(CCN1C[C@H](C)OCc1ccccc1)C2(C)C |THB:8:9:26:14.12.13,15:14:26:9.3.2|
Show InChI InChI=1S/C25H33NO2/c1-18(28-17-19-8-6-5-7-9-19)16-26-13-12-25(4)22-11-10-21(27)14-20(22)15-23(26)24(25,2)3/h5-11,14,18,23,27H,12-13,15-17H2,1-4H3/t18-,23+,25?/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+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