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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 = 'BDBM50130535'   
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)
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 790n/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))
BDBM50130535
PNG
(CHEMBL3632695)
Show SMILES OC(=O)\C=C\C(O)=O.COc1cc(ccc1COCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C25H29F3N2O4.C4H4O4/c1-33-23-12-19(25(26,27)28)7-6-18(23)15-34-16-21(31)14-29-10-8-20(9-11-29)30-13-17-4-2-3-5-22(17)24(30)32;5-3(6)1-2-4(7)8/h2-7,12,20-21,31H,8-11,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+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