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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 = 'BDBM50319548'   
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))
BDBM50319548
PNG
((R)-2-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(Cl)n(C)nc1-c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClN4/c1-18-7-6-15-31(18)16-14-19-10-12-22-21(17-19)11-13-23(28-22)24-25(29-30(2)26(24)27)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319548
PNG
((R)-2-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1c(Cl)n(C)nc1-c1ccccc1 |r|
Show InChI InChI=1S/C26H27ClN4/c1-18-7-6-15-31(18)16-14-19-10-12-22-21(17-19)11-13-23(28-22)24-25(29-30(2)26(24)27)20-8-4-3-5-9-20/h3-5,8-13,17-18H,6-7,14-16H2,1-2H3/t18-/m1/s1
PDB
MMDB

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KEGG

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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair