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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 = 'BDBM50452142'   
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))
BDBM50452142
PNG
(CHEMBL4212501)
Show SMILES CCSc1ccc(cn1)[C@H](c1cc2cc(Br)ccc2nc1OC)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
Show InChI InChI=1S/C29H31BrFN3O2S/c1-5-37-26-12-9-19(18-32-26)27(24-16-20-15-22(30)10-11-25(20)33-28(24)36-4)29(35,13-14-34(2)3)21-7-6-8-23(31)17-21/h6-12,15-18,27,35H,5,13-14H2,1-4H3/t27-,29-/m1/s1
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PC cid
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Article
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n/an/a 460n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 27: 5190-5196 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.042
BindingDB Entry DOI: 10.7270/Q2X3511S
More data for this
Ligand-Target Pair