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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 = 'BDBM50347002'   
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))
BDBM50347002
PNG
(CHEMBL1795904)
Show SMILES CCn1ccc(cc1=O)[C@H]1CCNC[C@@H]1C(=O)N(Cc1cc(CCCOC)cc(OCCOC)c1)C1CC1 |r|
Show InChI InChI=1S/C30H43N3O5/c1-4-32-12-10-24(19-29(32)34)27-9-11-31-20-28(27)30(35)33(25-7-8-25)21-23-16-22(6-5-13-36-2)17-26(18-23)38-15-14-37-3/h10,12,16-19,25,27-28,31H,4-9,11,13-15,20-21H2,1-3H3/t27-,28+/m1/s1
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Similars

Article
PubMed
>2.90E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 21: 3970-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.013
BindingDB Entry DOI: 10.7270/Q2PN9608
More data for this
Ligand-Target Pair