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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 = 'BDBM50539054'   
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))
BDBM50539054
PNG
(CHEMBL4645301)
Show SMILES CCCOc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1ccnc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C32H39BrN4O6/c1-8-15-43-27-19-21(18-26(36-27)39-4)32(38,12-14-37(2)3)28(23-11-13-34-31(42-7)29(23)40-5)24-17-20-16-22(33)9-10-25(20)35-30(24)41-6/h9-11,13,16-19,28,38H,8,12,14-15H2,1-7H3/t28-,32-/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.80E+3n/an/an/an/an/an/a



University of Auckland

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2019.115213
BindingDB Entry DOI: 10.7270/Q24X5CB3
More data for this
Ligand-Target Pair