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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 = 'BDBM50537222'   
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))
BDBM50537222
PNG
(CHEMBL4574425)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccnc1OC)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C29H33BrN4O5/c1-34(2)13-11-29(35,19-16-24(36-3)33-25(17-19)37-4)26(21-8-7-12-31-27(21)38-5)22-15-18-14-20(30)9-10-23(18)32-28(22)39-6/h7-10,12,14-17,26,35H,11,13H2,1-6H3/t26-,29-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Auckland Cancer Society Research Centre

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem 27: 1292-1307 (2019)


Article DOI: 10.1016/j.bmc.2019.02.026
BindingDB Entry DOI: 10.7270/Q23J3HGP
More data for this
Ligand-Target Pair