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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily H member 2' and Ligand = 'BDBM50395399'   
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))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by Ionworks assay


J Med Chem 55: 6916-33 (2012)


Article DOI: 10.1021/jm300690s
BindingDB Entry DOI: 10.7270/Q23B6188
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair