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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 = 'BDBM50393022'   
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


(Homo sapiens (Human))
BDBM50393022
PNG
(CHEMBL2152687)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CC3)n2)cc1 |r|
Show InChI InChI=1S/C27H24FN5O3/c28-19-8-12-22(13-9-19)36-21-10-6-17(7-11-21)23-2-1-3-25(31-23)33-27(35)24(14-20-15-29-16-30-20)32-26(34)18-4-5-18/h1-3,6-13,15-16,18,24H,4-5,14H2,(H,29,30)(H,32,34)(H,31,33,35)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
206n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of Nav1.7 by electrophysiological patch clamp assay


ACS Med Chem Lett 3: 695-696 (2012)


Article DOI: 10.1021/ml300194f
BindingDB Entry DOI: 10.7270/Q2J967G4
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50393022
PNG
(CHEMBL2152687)
Show SMILES Fc1ccc(Oc2ccc(cc2)-c2cccc(NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CC3)n2)cc1 |r|
Show InChI InChI=1S/C27H24FN5O3/c28-19-8-12-22(13-9-19)36-21-10-6-17(7-11-21)23-2-1-3-25(31-23)33-27(35)24(14-20-15-29-16-30-20)32-26(34)18-4-5-18/h1-3,6-13,15-16,18,24H,4-5,14H2,(H,29,30)(H,32,34)(H,31,33,35)/t24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Blockade of Nav1.7 by FLIPR TETRA sodium dye assay in presence of KCl salt


ACS Med Chem Lett 3: 695-696 (2012)


Article DOI: 10.1021/ml300194f
BindingDB Entry DOI: 10.7270/Q2J967G4
More data for this
Ligand-Target Pair