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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 326.3
BDBM50425096

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 A member 5


(Homo sapiens (Human))
BDBM50425096
PNG
(CHEMBL2312918)
Show SMILES CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N2O2P/c1-2-14-20(18-13-15-22-19-18)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 channel expressed in CHO cells by high throughput planar patch clamp assay


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Intermediate conductance calcium-activated potassium channel protein 4


(Homo sapiens (Human))
BDBM50425096
PNG
(CHEMBL2312918)
Show SMILES CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N2O2P/c1-2-14-20(18-13-15-22-19-18)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of IK channel (unknown origin)


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50425096
PNG
(CHEMBL2312918)
Show SMILES CCCN(c1ccon1)P(=O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C18H19N2O2P/c1-2-14-20(18-13-15-22-19-18)23(21,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,15H,2,14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 23: 706-10 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.098
BindingDB Entry DOI: 10.7270/Q2H133BG
More data for this
Ligand-Target Pair