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Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'janz' and Initial = 'jm'   
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))
BDBM50565931
PNG
(CHEMBL4787096)
Show SMILES C[C@H](Oc1cc(cnc1N)-c1c[nH]nc1C)c1cc(F)ccc1-n1cccn1 |r|
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3.80E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565919
PNG
(CHEMBL4794362)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)c(F)cc1-n1cccn1 |r|
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4.10E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565920
PNG
(CHEMBL4784517)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(F)c(F)cc1-n1cccn1 |r|
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4.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565925
PNG
(CHEMBL4778780)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CCO)ncc2cc1-n1cccn1 |r|
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8.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565921
PNG
(CHEMBL4781765)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2[nH]ncc2cc1-n1cccn1 |r|
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1.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565918
PNG
(CHEMBL4778108)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)c(F)cc1-n1cccn1 |r|
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1.90E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565917
PNG
(CHEMBL4783261)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc(F)ccc1-n1cccn1 |r|
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2.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565922
PNG
(CHEMBL4797664)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r|
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3.40E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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>3.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565923
PNG
(CHEMBL4762748)
Show SMILES C[C@H](Oc1cc2cc(cc(F)c2nc1N)C(N)=O)c1ncc(F)cc1-n1cccn1 |r|
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>4.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565926
PNG
(CHEMBL4778770)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc2n(CC(O)=O)ncc2cc1-n1cccn1 |r|
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TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565927
PNG
(CHEMBL4779453)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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4.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565924
PNG
(CHEMBL4795396)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C(N)=O)c1cc2n(CCO)ncc2cc1-n1cccn1 |r|
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>4.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565916
PNG
(CHEMBL4777878)
Show SMILES C[C@H](Oc1cc2cc(ccc2nc1N)C#N)c1cc(F)ccc1-n1cccn1 |r|
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>4.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565930
PNG
(CHEMBL4796436)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1[nH]c(=O)ccc1-n1cccn1 |r|
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6.30E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to human ERG by dofetilide fluorescence polarization binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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n/an/a 1.73E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C8 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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n/an/a 2.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a 2.18E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C8 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a 2.44E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP1A2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a 2.49E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2C9 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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TBA

Assay Description
Inhibition of CYP1A2 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of CYP3A4 (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565929
PNG
(Pf-07059013)
Show SMILES C[C@H](Oc1cc2cc(F)ccc2nc1N)c1[nH]c(=O)ccc1-n1cccn1
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n/an/a 4.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50565928
PNG
(CHEMBL4785484)
Show SMILES C[C@H](Oc1cc2cc(F)cc(F)c2nc1N)c1cc(ccc1-n1cccn1)C(O)=O |r|
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n/an/a 1.44E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG by patch clamp assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01518
BindingDB Entry DOI: 10.7270/Q2QC079V
More data for this
Ligand-Target Pair