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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 = 'BDBM50355538'   
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))
BDBM50355538
PNG
(CHEMBL1910304)
Show SMILES COCCCn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)ccc(CS(C)(=O)=O)c12 |r|
Show InChI InChI=1S/C30H36F3N3O5S/c1-41-13-3-12-35-16-20(27-25(32)8-4-19(28(27)35)18-42(2,39)40)17-36(22-6-7-22)29(37)23-15-34-11-10-30(23,38)21-5-9-24(31)26(33)14-21/h4-5,8-9,14,16,22-23,34,38H,3,6-7,10-13,15,17-18H2,1-2H3/t23-,30+/m1/s1
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Similars

Article
PubMed
1.80E+3n/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 21: 3976-81 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.014
BindingDB Entry DOI: 10.7270/Q21N81HN
More data for this
Ligand-Target Pair