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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 = 'BDBM50537217'   
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))
BDBM50537217
PNG
(CHEMBL4519972)
Show SMILES COc1cc(cc(OC)n1)[C@](O)(CCN(C)C)[C@H](c1cccc(OC)c1OC)c1cc2cc(Br)ccc2nc1OC |r|
Show InChI InChI=1S/C31H36BrN3O6/c1-35(2)14-13-31(36,20-17-26(38-4)34-27(18-20)39-5)28(22-9-8-10-25(37-3)29(22)40-6)23-16-19-15-21(32)11-12-24(19)33-30(23)41-7/h8-12,15-18,28,36H,13-14H2,1-7H3/t28-,31-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+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