Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50011408 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 |
|---|
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106236
((3R,4S)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m0/s1 | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50099582
((3R,4S)N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-trifluor...)Show SMILES CN([C@@H]1[C@@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m0/s1 | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106233
(CHEMBL124308 | N-(6-Benzyloxy-3-hydroxy-2,2-dimeth...)Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12)S(C)(=O)=O Show InChI InChI=1S/C20H25NO5S/c1-20(2)19(22)18(21(3)27(4,23)24)16-12-15(10-11-17(16)26-20)25-13-14-8-6-5-7-9-14/h5-12,18-19,22H,13H2,1-4H3 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106231
(CHEMBL340910 | N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-...)Show SMILES CN(C1C(O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3 | PDB
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| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106232
(CHEMBL125307 | N-(6-Butoxy-3-hydroxy-2,2-dimethyl-...)Show SMILES CCCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C17H27NO5S/c1-6-7-10-22-12-8-9-14-13(11-12)15(18(4)24(5,20)21)16(19)17(2,3)23-14/h8-9,11,15-16,19H,6-7,10H2,1-5H3 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106237
((3S,4R)-Ethanesulfonic acid (6-benzyloxy-3-hydroxy...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(OCc3ccccc3)cc12 Show InChI InChI=1S/C21H27NO5S/c1-5-28(24,25)22(4)19-17-13-16(26-14-15-9-7-6-8-10-15)11-12-18(17)27-21(2,3)20(19)23/h6-13,19-20,23H,5,14H2,1-4H3/t19-,20+/m1/s1 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106234
((3S,4R)-(+)-N-[3-Hydroxy-2,2-dimethyl-6-(4,4,4-tri...)Show SMILES CN([C@H]1[C@H](O)C(C)(C)Oc2ccc(OCCCC(F)(F)F)cc12)S(C)(=O)=O Show InChI InChI=1S/C17H24F3NO5S/c1-16(2)15(22)14(21(3)27(4,23)24)12-10-11(6-7-13(12)26-16)25-9-5-8-17(18,19)20/h6-7,10,14-15,22H,5,8-9H2,1-4H3/t14-,15+/m1/s1 | PDB
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| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106228
((3R,4S)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(F)cc12 Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m0/s1 | PDB
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106235
(CHEMBL124810 | N-(3-Hydroxy-2,2-dimethyl-6-propoxy...)Show SMILES CCCOc1ccc2OC(C)(C)C(O)C(N(C)S(C)(=O)=O)c2c1 Show InChI InChI=1S/C16H25NO5S/c1-6-9-21-11-7-8-13-12(10-11)14(17(4)23(5,19)20)15(18)16(2,3)22-13/h7-8,10,14-15,18H,6,9H2,1-5H3 | PDB
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106226
(CHEMBL338171 | N-(6-Chloro-3-hydroxy-2,2-dimethyl-...)Show InChI InChI=1S/C13H18ClNO4S/c1-13(2)12(16)11(15(3)20(4,17)18)9-7-8(14)5-6-10(9)19-13/h5-7,11-12,16H,1-4H3 | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106229
(CHEMBL127435 | Ethanesulfonic acid (6-fluoro-3-hyd...)Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106223
((3S,4R)-Ethanesulfonic acid (6-fluoro-3-hydroxy-2,...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(F)cc12 Show InChI InChI=1S/C14H20FNO4S/c1-5-21(18,19)16(4)12-10-8-9(15)6-7-11(10)20-14(2,3)13(12)17/h6-8,12-13,17H,5H2,1-4H3/t12-,13+/m1/s1 | PDB
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| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106224
(CHEMBL125259 | Ethanesulfonic acid (3-hydroxy-2,2-...)Show InChI InChI=1S/C14H21NO4S/c1-5-20(17,18)15(4)12-10-8-6-7-9-11(10)19-14(2,3)13(12)16/h6-9,12-13,16H,5H2,1-4H3 | PDB
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| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106227
((3R,4S)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@@H]1[C@@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m0/s1 | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1) |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50099567
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1 | PDB
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| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 2) |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106230
(CHEMBL338273 | Ethanesulfonic acid (6-cyano-3-hydr...)Show SMILES CCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3 | PDB
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| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50099567
((3S,4R)-Ethanesulfonic acid (6-cyano-3-hydroxy-2,2...)Show SMILES CCS(=O)(=O)N(C)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C15H20N2O4S/c1-5-22(19,20)17(4)13-11-8-10(9-16)6-7-12(11)21-15(2,3)14(13)18/h6-8,13-14,18H,5H2,1-4H3/t13-,14+/m1/s1 | PDB
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| n/a | n/a | 4.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes,(Experiment 1) |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50106225
(Butane-1-sulfonic acid (6-cyano-3-hydroxy-2,2-dime...)Show SMILES CCCCS(=O)(=O)N(C)C1C(O)C(C)(C)Oc2ccc(cc12)C#N Show InChI InChI=1S/C17H24N2O4S/c1-5-6-9-24(21,22)19(4)15-13-10-12(11-18)7-8-14(13)23-17(2,3)16(15)20/h7-8,10,15-16,20H,5-6,9H2,1-4H3 | PDB
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| n/a | n/a | 5.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma Deutschland GmbH
Curated by ChEMBL
| Assay Description
Inhibition of human IKs-channel expressed in Xenopus oocytes |
J Med Chem 44: 3831-7 (2001)
BindingDB Entry DOI: 10.7270/Q26H4GPX |
More data for this
Ligand-Target Pair | |
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