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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 = 'BDBM50460286'   
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))
BDBM50460286
PNG
(CHEMBL4228555)
Show SMILES CCOc1cc(cc(OC)n1)[C@H](c1cc2cc(ccc2cc1OC)C#N)[C@@](O)(CCN(C)C)c1cccc2ccoc12 |r|
Show InChI InChI=1S/C34H35N3O5/c1-6-41-31-20-26(19-30(36-31)40-5)32(27-17-25-16-22(21-35)10-11-24(25)18-29(27)39-4)34(38,13-14-37(2)3)28-9-7-8-23-12-15-42-33(23)28/h7-12,15-20,32,38H,6,13-14H2,1-5H3/t32-,34-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a<1.00E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem 26: 1797-1809 (2018)


Article DOI: 10.1016/j.bmc.2018.02.026
BindingDB Entry DOI: 10.7270/Q2TQ645G
More data for this
Ligand-Target Pair