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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 = 'BDBM50473872'   
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)
BDBM50473872
PNG
(CHEMBL2111815)
Show SMILES [H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
864n/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)
BDBM50473872
PNG
(CHEMBL2111815)
Show SMILES [H][C@@]12Cc3cc(O)ccc3C(C)(CCN1C[C@@H](C)Oc1ccccc1)C2(C)C |THB:8:9:25:14.12.13,15:14:25:9.3.2|
Show InChI InChI=1S/C24H31NO2/c1-17(27-20-8-6-5-7-9-20)16-25-13-12-24(4)21-11-10-19(26)14-18(21)15-22(25)23(24,2)3/h5-11,14,17,22,26H,12-13,15-16H2,1-4H3/t17-,22+,24?/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.34E+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