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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50039951   
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))
BDBM50386758
PNG
(CHEMBL2046893)
Show SMILES Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H24F2N2/c24-20-8-12-22(13-9-20)27(23-14-10-21(25)11-15-23)18-17-26-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,26H,4,7,16-18H2
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n/an/a 2.40n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386758
PNG
(CHEMBL2046893)
Show SMILES Fc1ccc(cc1)N(CCNCCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H24F2N2/c24-20-8-12-22(13-9-20)27(23-14-10-21(25)11-15-23)18-17-26-16-4-7-19-5-2-1-3-6-19/h1-3,5-6,8-15,26H,4,7,16-18H2
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n/an/a 2.51n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386755
PNG
(CHEMBL2046889)
Show SMILES C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27N/c1-4-11-21(12-5-1)13-10-19-25-20-18-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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n/an/a 15.8n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386755
PNG
(CHEMBL2046889)
Show SMILES C(CNCCC(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C24H27N/c1-4-11-21(12-5-1)13-10-19-25-20-18-24(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24-25H,10,13,18-20H2
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n/an/a 17n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386757
PNG
(CHEMBL2046892)
Show SMILES Fc1ccc(cc1)N(CCNCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N2/c23-19-6-10-21(11-7-19)26(22-12-8-20(24)9-13-22)17-16-25-15-14-18-4-2-1-3-5-18/h1-13,25H,14-17H2
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n/an/a 39.8n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386757
PNG
(CHEMBL2046892)
Show SMILES Fc1ccc(cc1)N(CCNCCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C22H22F2N2/c23-19-6-10-21(11-7-19)26(22-12-8-20(24)9-13-22)17-16-25-15-14-18-4-2-1-3-5-18/h1-13,25H,14-17H2
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n/an/a 44n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386756
PNG
(CHEMBL2046890)
Show SMILES C(CN(c1ccccc1)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C22H24N2/c1-4-10-20(11-5-1)16-17-23-18-19-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2
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n/an/a 62n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386756
PNG
(CHEMBL2046890)
Show SMILES C(CN(c1ccccc1)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C22H24N2/c1-4-10-20(11-5-1)16-17-23-18-19-24(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23H,16-19H2
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n/an/a 63.1n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386760
PNG
(CHEMBL2046895)
Show SMILES Fc1ccc(cc1)N(CCNC(=O)CCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N2O/c24-19-7-11-21(12-8-19)27(22-13-9-20(25)10-14-22)17-16-26-23(28)15-6-18-4-2-1-3-5-18/h1-5,7-14H,6,15-17H2,(H,26,28)
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n/an/a 192n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386760
PNG
(CHEMBL2046895)
Show SMILES Fc1ccc(cc1)N(CCNC(=O)CCc1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22F2N2O/c24-19-7-11-21(12-8-19)27(22-13-9-20(25)10-14-22)17-16-26-23(28)15-6-18-4-2-1-3-5-18/h1-5,7-14H,6,15-17H2,(H,26,28)
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n/an/a 200n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386753
PNG
(CHEMBL2046891)
Show SMILES C(CNCCN(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H26N2/c1-4-11-21(12-5-1)13-10-18-24-19-20-25(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24H,10,13,18-20H2
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n/an/a 580n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386753
PNG
(CHEMBL2046891)
Show SMILES C(CNCCN(c1ccccc1)c1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C23H26N2/c1-4-11-21(12-5-1)13-10-18-24-19-20-25(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-9,11-12,14-17,24H,10,13,18-20H2
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n/an/a 631n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386754
PNG
(CHEMBL2046888)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C23H25N/c1-4-10-20(11-5-1)16-18-24-19-17-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
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n/an/a 2.79E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386754
PNG
(CHEMBL2046888)
Show SMILES C(CC(c1ccccc1)c1ccccc1)NCCc1ccccc1
Show InChI InChI=1S/C23H25N/c1-4-10-20(11-5-1)16-18-24-19-17-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23-24H,16-19H2
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n/an/a 3.16E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386759
PNG
(CHEMBL2046894)
Show SMILES O=C(Cc1ccccc1)NCCN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N2O/c25-22(18-19-10-4-1-5-11-19)23-16-17-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,23,25)
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n/an/a 7.86E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50386759
PNG
(CHEMBL2046894)
Show SMILES O=C(Cc1ccccc1)NCCN(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H22N2O/c25-22(18-19-10-4-1-5-11-19)23-16-17-24(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,23,25)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK cells by patch clamp assay


J Med Chem 55: 4010-4 (2012)


Article DOI: 10.1021/jm201194q
BindingDB Entry DOI: 10.7270/Q2BR8T7D
More data for this
Ligand-Target Pair