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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 = 'BDBM50359172'   
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))
BDBM50359172
PNG
(CHEMBL1923109)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@@]22OC=Cc3ccccc23)cc(OCCOC)c1 |r,c:24|
Show InChI InChI=1S/C31H40N2O5/c1-35-14-5-6-23-18-24(20-27(19-23)37-17-16-36-2)22-33(26-9-10-26)30(34)29-21-32-13-12-31(29)28-8-4-3-7-25(28)11-15-38-31/h3-4,7-8,11,15,18-20,26,29,32H,5-6,9-10,12-14,16-17,21-22H2,1-2H3/t29-,31+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 7399-404 (2011)


Article DOI: 10.1016/j.bmcl.2011.10.013
BindingDB Entry DOI: 10.7270/Q2PC32SW
More data for this
Ligand-Target Pair