Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50033015 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to Cav3.3 alpha1i |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50338166
((R)-2-(4-tert-butylphenyl)-N-(1-(5-methoxypyridin-...)Show SMILES COc1ccc(nc1)[C@@H](C)NC(=O)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -100 mV by standard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1G
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Cav3.1 alpha1G at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1H
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Cav3.2 alpha1H at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent T-type calcium channel subunit alpha-1I
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells at -80 mV by standard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338166
((R)-2-(4-tert-butylphenyl)-N-(1-(5-methoxypyridin-...)Show SMILES COc1ccc(nc1)[C@@H](C)NC(=O)Cc1ccc(cc1)C(C)(C)C |r| Show InChI InChI=1S/C20H26N2O2/c1-14(18-11-10-17(24-5)13-21-18)22-19(23)12-15-6-8-16(9-7-15)20(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,22,23)/t14-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent L-type calcium channel subunit alpha-1C
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of L-type Cav1.2 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent P/Q-type calcium channel subunit alpha-1A
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of P/Q-type Cav2.1 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent N-type calcium channel subunit alpha-1B
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of N-type Cav2.2 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
Voltage-dependent R-type calcium channel subunit alpha-1E
(Homo sapiens (Human)) | BDBM50338167
((R)-2-(4-cyclopropylphenyl)-N-(1-(5-(2,2,2-trifluo...)Show SMILES C[C@@H](NC(=O)Cc1ccc(cc1)C1CC1)c1ccc(OCC(F)(F)F)cn1 |r| Show InChI InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/t13-/m1/s1 | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of R-type Cav2.3 at -80 mV holding potential by tandard voltage-clamp electrophysiology assay |
Bioorg Med Chem Lett 21: 1692-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.089
BindingDB Entry DOI: 10.7270/Q2736R6W |
More data for this
Ligand-Target Pair | |
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