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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sodium channel protein type 5 subunit alpha' and Ligand = 'BDBM50233393'   
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 5 subunit alpha


(Homo sapiens (Human))
BDBM50233393
PNG
(CHEMBL4096195)
Show SMILES CC(C)[C@]1(CC[C@](C)(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12)C(O)=O |r|
Show InChI InChI=1S/C29H29F3N6O3/c1-16(2)28(26(40)41)10-9-27(3,15-28)25-37-21(22-23(33)35-12-13-38(22)25)17-4-6-18(7-5-17)24(39)36-20-14-19(8-11-34-20)29(30,31)32/h4-8,11-14,16H,9-10,15H2,1-3H3,(H2,33,35)(H,40,41)(H,34,36,39)/t27-,28-/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck & Co Inc

Curated by ChEMBL


Assay Description
Inhibition of Nav1.5 (unknown origin)


Bioorg Med Chem Lett 27: 1471-1477 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.079
BindingDB Entry DOI: 10.7270/Q20867K5
More data for this
Ligand-Target Pair