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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 9 subunit alpha' and Ligand = 'BDBM50130513'   
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 9 subunit alpha


(Mus musculus)
BDBM50130513
PNG
(CHEMBL3634323)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C29H31N3O4/c33-22(20-36-27-12-5-4-9-24(27)29(35)21-7-2-1-3-8-21)19-31-15-17-32(18-16-31)26-11-6-10-25-23(26)13-14-28(34)30-25/h1-12,22,33H,13-20H2,(H,30,34)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130513
PNG
(CHEMBL3634323)
Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1cccc2NC(=O)CCc12
Show InChI InChI=1/C29H31N3O4/c33-22(20-36-27-12-5-4-9-24(27)29(35)21-7-2-1-3-8-21)19-31-15-17-32(18-16-31)26-11-6-10-25-23(26)13-14-28(34)30-25/h1-12,22,33H,13-20H2,(H,30,34)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)

More data for this
Ligand-Target Pair