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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 = 'BDBM50223136'   
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))
BDBM50223136
PNG
(CHEMBL249360 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H27ClF5N3O3/c1-16(2)39-26-12-8-19(31)13-18(26)7-11-24(29(39)42)37-28(41)25(14-17-5-3-4-6-23(17)33)38-27(40)21-10-9-20(32)15-22(21)30(34,35)36/h3-6,8-10,12-13,15-16,24-25H,7,11,14H2,1-2H3,(H,37,41)(H,38,40)/t24-,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 channel expressed in HEK293 cells by FRET assay


Bioorg Med Chem Lett 23: 3640-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.03.121
BindingDB Entry DOI: 10.7270/Q2W098VM
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50223136
PNG
(CHEMBL249360 | N-((R)-1-((R)-7-chloro-1-isopropyl-...)
Show SMILES CC(C)N1c2ccc(Cl)cc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2F)NC(=O)c2ccc(F)cc2C(F)(F)F)C1=O
Show InChI InChI=1S/C30H27ClF5N3O3/c1-16(2)39-26-12-8-19(31)13-18(26)7-11-24(29(39)42)37-28(41)25(14-17-5-3-4-6-23(17)33)38-27(40)21-10-9-20(32)15-22(21)30(34,35)36/h3-6,8-10,12-13,15-16,24-25H,7,11,14H2,1-2H3,(H,37,41)(H,38,40)/t24-,25-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human sodium channel Nav1.7 by FRET assay


Bioorg Med Chem Lett 17: 6172-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.032
BindingDB Entry DOI: 10.7270/Q2X92B00
More data for this
Ligand-Target Pair