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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 = 'BDBM50380996'   
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))
BDBM50380996
PNG
(CHEMBL2017112)
Show SMILES CC(=O)NCCc1ccccc1-c1onc([C@H]2CNCC[C@]2(OCC(O)CO)c2ccc(F)c(F)c2)c1Br |r|
Show InChI InChI=1S/C27H30BrF2N3O5/c1-16(35)32-10-8-17-4-2-3-5-20(17)26-24(28)25(33-38-26)21-13-31-11-9-27(21,37-15-19(36)14-34)18-6-7-22(29)23(30)12-18/h2-7,12,19,21,31,34,36H,8-11,13-15H2,1H3,(H,32,35)/t19?,21-,27+/m1/s1
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Similars

Article
PubMed
>6.00E+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