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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 = 'BDBM50355511'   
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))
BDBM50355511
PNG
(CHEMBL1910313)
Show SMILES Cc1noc(C)c1Cn1cc(CN(C2CC2)C(=O)[C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)c2c(F)cccc12 |r|
Show InChI InChI=1S/C30H31F3N4O3/c1-17-22(18(2)40-35-17)16-36-14-19(28-25(32)4-3-5-27(28)36)15-37(21-7-8-21)29(38)23-13-34-11-10-30(23,39)20-6-9-24(31)26(33)12-20/h3-6,9,12,14,21,23,34,39H,7-8,10-11,13,15-16H2,1-2H3/t23-,30+/m1/s1
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Article
PubMed
710n/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