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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 = 'BDBM50357925'   
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))
BDBM50357925
PNG
(CHEMBL1916541)
Show SMILES COc1ccc2c(C)nc(=O)n(CCN3CCC(CC3)NCc3cc4OCCOc4cn3)c2c1
Show InChI InChI=1S/C25H31N5O4/c1-17-21-4-3-20(32-2)14-22(21)30(25(31)28-17)10-9-29-7-5-18(6-8-29)26-15-19-13-23-24(16-27-19)34-12-11-33-23/h3-4,13-14,16,18,26H,5-12,15H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca R&D Boston

Curated by ChEMBL


Assay Description
Inhibition of human ERG by ionworks HT assay


J Med Chem 54: 7834-47 (2011)


Article DOI: 10.1021/jm2008826
BindingDB Entry DOI: 10.7270/Q2H41RVB
More data for this
Ligand-Target Pair