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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 = 'BDBM50452136'   
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))
BDBM50452136
PNG
(CHEMBL4206467)
Show SMILES COc1nc2ccc(Br)cc2cc1[C@@H](c1cc(C)c(C)s1)[C@@](O)(CCN(C)C)c1cccc(F)c1 |r|
Show InChI InChI=1S/C28H30BrFN2O2S/c1-17-13-25(35-18(17)2)26(23-15-19-14-21(29)9-10-24(19)31-27(23)34-5)28(33,11-12-32(3)4)20-7-6-8-22(30)16-20/h6-10,13-16,26,33H,11-12H2,1-5H3/t26-,28+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/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