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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50048175   
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
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50207233
PNG
(CHEMBL3973288)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nn1-c1ccccc1
Show InChI InChI=1S/C20H22FN3O2S/c1-15(2)11-19-13-17(23-24(19)18-8-4-3-5-9-18)14-22-27(25,26)20-10-6-7-16(21)12-20/h3-10,12-13,15,22H,11,14H2,1-2H3
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n/an/a 2.08E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50207233
PNG
(CHEMBL3973288)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nn1-c1ccccc1
Show InChI InChI=1S/C20H22FN3O2S/c1-15(2)11-19-13-17(23-24(19)18-8-4-3-5-9-18)14-22-27(25,26)20-10-6-7-16(21)12-20/h3-10,12-13,15,22H,11,14H2,1-2H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50207234
PNG
(CHEMBL3902262)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-16(2)13-19-14-17(22-23(19)18-9-5-3-6-10-18)15-21-26(24,25)20-11-7-4-8-12-20/h3-12,14,16,21H,13,15H2,1-2H3
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n/an/a 5.65E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50207234
PNG
(CHEMBL3902262)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-16(2)13-19-14-17(22-23(19)18-9-5-3-6-10-18)15-21-26(24,25)20-11-7-4-8-12-20/h3-12,14,16,21H,13,15H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207236
PNG
(CHEMBL3946960)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3
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n/an/a 6.55E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207235
PNG
(CHEMBL3919158)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(CCc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C28H31N3O2S/c1-22(2)19-27-20-25(30-31(27)26-11-7-4-8-12-26)21-29-34(32,33)28-17-15-24(16-18-28)14-13-23-9-5-3-6-10-23/h3-12,15-18,20,22,29H,13-14,19,21H2,1-2H3
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n/an/a 8.73E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50207236
PNG
(CHEMBL3946960)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3
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n/an/a 9.01E+3n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50207235
PNG
(CHEMBL3919158)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(CCc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C28H31N3O2S/c1-22(2)19-27-20-25(30-31(27)26-11-7-4-8-12-26)21-29-34(32,33)28-17-15-24(16-18-28)14-13-23-9-5-3-6-10-23/h3-12,15-18,20,22,29H,13-14,19,21H2,1-2H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1G


(Homo sapiens (Human))
BDBM50207236
PNG
(CHEMBL3946960)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(Cc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C27H29N3O2S/c1-21(2)17-26-19-24(29-30(26)25-11-7-4-8-12-25)20-28-33(31,32)27-15-13-23(14-16-27)18-22-9-5-3-6-10-22/h3-16,19,21,28H,17-18,20H2,1-2H3
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n/an/a 1.27E+4n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.1 alpha1G (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207233
PNG
(CHEMBL3973288)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2cccc(F)c2)nn1-c1ccccc1
Show InChI InChI=1S/C20H22FN3O2S/c1-15(2)11-19-13-17(23-24(19)18-8-4-3-5-9-18)14-22-27(25,26)20-10-6-7-16(21)12-20/h3-10,12-13,15,22H,11,14H2,1-2H3
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n/an/a 1.45E+4n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Voltage-dependent T-type calcium channel subunit alpha-1H


(Homo sapiens (Human))
BDBM50207235
PNG
(CHEMBL3919158)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccc(CCc3ccccc3)cc2)nn1-c1ccccc1
Show InChI InChI=1S/C28H31N3O2S/c1-22(2)19-27-20-25(30-31(27)26-11-7-4-8-12-26)21-29-34(32,33)28-17-15-24(16-18-28)14-13-23-9-5-3-6-10-23/h3-12,15-18,20,22,29H,13-14,19,21H2,1-2H3
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n/an/a 1.46E+4n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of Cav3.2 alpha1H (unknown origin) expressed in HEK293 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50207234
PNG
(CHEMBL3902262)
Show SMILES CC(C)Cc1cc(CNS(=O)(=O)c2ccccc2)nn1-c1ccccc1
Show InChI InChI=1S/C20H23N3O2S/c1-16(2)13-19-14-17(22-23(19)18-9-5-3-6-10-18)15-21-26(24,25)20-11-7-4-8-12-20/h3-12,14,16,21H,13,15H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Korea Institutes of Science and Technology (KIST)

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHOK1 cells by whole-cell patch clamp method


Eur J Med Chem 123: 665-672 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.032
BindingDB Entry DOI: 10.7270/Q2ZK5JN6
More data for this
Ligand-Target Pair