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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50380993'   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50380993
PNG
(CHEMBL2017107)
Show SMILES CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c1C(C)=O |r|
Show InChI InChI=1S/C26H27F2N3O4/c1-15(32)23-24(20-14-29-12-10-26(20,34)18-7-8-21(27)22(28)13-18)31-35-25(23)19-6-4-3-5-17(19)9-11-30-16(2)33/h3-8,13,20,29,34H,9-12,14H2,1-2H3,(H,30,33)/t20-,26+/m1/s1
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Similars

Article
PubMed
1.37E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human Erg


Bioorg Med Chem Lett 22: 2670-4 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.014
BindingDB Entry DOI: 10.7270/Q2MW2J5S
More data for this
Ligand-Target Pair