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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 = 'BDBM50355542'   
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))
BDBM50355542
PNG
(CHEMBL1910286)
Show SMILES COCCCc1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccccc2)cc(OCCOC)c1 |r|
Show InChI InChI=1S/C29H40N2O5/c1-34-14-6-7-22-17-23(19-26(18-22)36-16-15-35-2)21-31(25-10-11-25)28(32)27-20-30-13-12-29(27,33)24-8-4-3-5-9-24/h3-5,8-9,17-19,25,27,30,33H,6-7,10-16,20-21H2,1-2H3/t27-,29+/m1/s1
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PC cid
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Article
PubMed
5.00E+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