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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 = 'BDBM50130510'   
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)
BDBM50130510
PNG
(CHEMBL3632698)
Show SMILES COc1cc(ccc1COCC(O)CN1CCC(CC1)C(=O)Nc1ccccc1)C(F)(F)F
Show InChI InChI=1/C24H29F3N2O4/c1-32-22-13-19(24(25,26)27)8-7-18(22)15-33-16-21(30)14-29-11-9-17(10-12-29)23(31)28-20-5-3-2-4-6-20/h2-8,13,17,21,30H,9-12,14-16H2,1H3,(H,28,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.30E+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))
BDBM50130510
PNG
(CHEMBL3632698)
Show SMILES COc1cc(ccc1COCC(O)CN1CCC(CC1)C(=O)Nc1ccccc1)C(F)(F)F
Show InChI InChI=1/C24H29F3N2O4/c1-32-22-13-19(24(25,26)27)8-7-18(22)15-33-16-21(30)14-29-11-9-17(10-12-29)23(31)28-20-5-3-2-4-6-20/h2-8,13,17,21,30H,9-12,14-16H2,1H3,(H,28,31)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+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