Found 18 hits of ic50 data for polymerid = 50000426 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50392995
(CHEMBL2152523)Show SMILES C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C24H32N2/c1-5-13-21(14-6-1)23(25-17-9-3-10-18-25)24(22-15-7-2-8-16-22)26-19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m1/s1 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
Bioorg Med Chem Lett 29: 1241-1245 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50343721
(3-(4-(4-(2-fluoro-4-methylphenyl)-5-(4-methoxyphen...)Show SMILES COc1ccc(cc1)-c1cnc(nc1-c1ccc(C)cc1F)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C34H29FN4O4/c1-21-7-12-27(30(35)17-21)31-29(22-8-10-25(43-2)11-9-22)20-36-32(37-31)33(40)39-15-13-38(14-16-39)24-18-23-5-3-4-6-26(23)28(19-24)34(41)42/h3-12,17-20H,13-16H2,1-2H3,(H,41,42) | PDB
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| n/a | n/a | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IKr |
Bioorg Med Chem Lett 21: 2911-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50343722
(3-(4-(5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(2...)Show SMILES Cc1ccc(c(F)c1)-c1nc(ncc1-c1ccc2OCCOc2c1)C(=O)N1CCN(CC1)c1cc(C(O)=O)c2ccccc2c1 Show InChI InChI=1S/C35H29FN4O5/c1-21-6-8-26(29(36)16-21)32-28(23-7-9-30-31(18-23)45-15-14-44-30)20-37-33(38-32)34(41)40-12-10-39(11-13-40)24-17-22-4-2-3-5-25(22)27(19-24)35(42)43/h2-9,16-20H,10-15H2,1H3,(H,42,43) | 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& Co. Inc.
Curated by ChEMBL
| Assay Description
Inhibition of IKr |
Bioorg Med Chem Lett 21: 2911-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.069
BindingDB Entry DOI: 10.7270/Q2TB177X |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50355405
(CHEMBL1835153)Show SMILES NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c3ccc(cc3[nH]c12)-c1cnc(N)nc1 |r| Show InChI InChI=1S/C21H18F3N7O/c22-21(23,24)17(9-1-2-9)31-19-15-12-4-3-10(11-6-28-20(26)29-7-11)5-14(12)30-16(15)13(8-27-19)18(25)32/h3-9,17,30H,1-2H2,(H2,25,32)(H,27,31)(H2,26,28,29)/t17-/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& Co.
Curated by ChEMBL
| Assay Description
Inhibition of Iks channel |
J Med Chem 54: 7334-49 (2011)
Article DOI: 10.1021/jm200909u
BindingDB Entry DOI: 10.7270/Q2T43TGS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50045833
(CHEMBL3314349)Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C22H24ClN3O/c1-24(2)13-15-4-5-17-14-26(9-8-16(17)10-15)22(27)21-12-18-11-19(23)6-7-20(18)25(21)3/h4-7,10-12H,8-9,13-14H2,1-3H3 | PDB
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| n/a | n/a | 1.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay |
J Med Chem 57: 5935-48 (2014)
Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50468128
(CHEMBL4282052)Show SMILES OC(=O)C(F)(F)F.CCOc1cc(CN2CCC3(CN(C(=O)C3)c3ccc(cc3)C(O)=O)CC2)cc(OCC)c1-c1ccc(F)cc1 Show InChI InChI=1S/C32H35FN2O5/c1-3-39-27-17-22(18-28(40-4-2)30(27)23-5-9-25(33)10-6-23)20-34-15-13-32(14-16-34)19-29(36)35(21-32)26-11-7-24(8-12-26)31(37)38/h5-12,17-18H,3-4,13-16,19-21H2,1-2H3,(H,37,38) | PDB
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| n/a | n/a | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co.
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
ACS Med Chem Lett 9: 1082-1087 (2018)
Article DOI: 10.1021/acsmedchemlett.8b00305
BindingDB Entry DOI: 10.7270/Q2ZP48TS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50523763
(CHEMBL4438854)Show SMILES C1CCN(CC1)[C@@H]([C@H](N1CCCCC1)c1ccccn1)c1ccccn1 |r| Show InChI InChI=1S/C22H30N4/c1-7-15-25(16-8-1)21(19-11-3-5-13-23-19)22(20-12-4-6-14-24-20)26-17-9-2-10-18-26/h3-6,11-14,21-22H,1-2,7-10,15-18H2/t21-,22-/m1/s1 | PDB
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| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
Bioorg Med Chem Lett 29: 1241-1245 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50385309
(CHEMBL2035983)Show SMILES C[C@]1(CNC2(CCCC2)C(=O)N1CC(=O)Nc1cnc2C[C@]3(Cc2c1)C(=O)Nc1ncccc31)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C31H30F2N6O3/c1-29(19-10-20(32)12-21(33)11-19)17-36-31(6-2-3-7-31)28(42)39(29)16-25(40)37-22-9-18-13-30(14-24(18)35-15-22)23-5-4-8-34-26(23)38-27(30)41/h4-5,8-12,15,36H,2-3,6-7,13-14,16-17H2,1H3,(H,37,40)(H,34,38,41)/t29-,30-/m0/s1 | PDB
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Iks ion channel by voltage clamp assay |
Bioorg Med Chem Lett 22: 3941-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.105
BindingDB Entry DOI: 10.7270/Q2FX7BG1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50103543
(CHEMBL3358006)Show SMILES C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r| Show InChI InChI=1S/C21H22F4N6O4S/c1-13-10-30(20-28-18(29-35-20)21(23,24)25)5-6-31(13)19-26-8-16(9-27-19)34-11-15-4-3-14(7-17(15)22)12-36(2,32)33/h3-4,7-9,13H,5-6,10-12H2,1-2H3/t13-/m1/s1 | PDB
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| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs channel (unknown origin) |
J Med Chem 57: 8984-98 (2014)
Article DOI: 10.1021/jm5011012
BindingDB Entry DOI: 10.7270/Q29G5PK1 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50246769
(CHEMBL4064608)Show SMILES C1CC(CCO1)c1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N3CCOCC3)c12 |r,wU:15.15,wD:18.22,(7.34,-15.64,;7.82,-17.1,;6.8,-18.25,;5.29,-17.94,;4.81,-16.48,;5.83,-15.33,;7.28,-19.71,;6.38,-20.97,;7.3,-22.21,;8.77,-21.73,;10.1,-22.5,;11.43,-21.72,;11.43,-20.18,;10.1,-19.41,;10.09,-17.87,;11.43,-17.1,;11.42,-15.56,;12.75,-14.8,;14.09,-15.57,;14.08,-17.11,;12.75,-17.87,;15.42,-14.8,;16.75,-15.58,;18.08,-14.82,;18.09,-13.28,;16.76,-12.5,;15.42,-13.27,;8.76,-20.18,)| Show InChI InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17- | PDB
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
J Med Chem 60: 10071-10091 (2017)
Article DOI: 10.1021/acs.jmedchem.7b01290
BindingDB Entry DOI: 10.7270/Q2T72KWX |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50523766
(CHEMBL4476275)Show SMILES CCCN(CCC)[C@@H]([C@H](N(CCC)CCC)c1ccccn1)c1ccccn1 |r| Show InChI InChI=1S/C24H38N4/c1-5-17-27(18-6-2)23(21-13-9-11-15-25-21)24(22-14-10-12-16-26-22)28(19-7-3)20-8-4/h9-16,23-24H,5-8,17-20H2,1-4H3/t23-,24-/m1/s1 | PDB
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| Article
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
Bioorg Med Chem Lett 29: 1241-1245 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50524102
(CHEMBL4542281)Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn2CCNC(=O)c12 |r| Show InChI InChI=1S/C24H26N6O3/c1-14-12-19(29-28-14)15-6-8-16(9-7-15)22(31)17-4-2-3-5-18(17)23(32)27-20-13-26-30-11-10-25-24(33)21(20)30/h6-9,12-13,17-18H,2-5,10-11H2,1H3,(H,25,33)(H,27,32)(H,28,29)/t17-,18-/m1/s1 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human KCNE1 by Ion-work electrophysiology assay |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50524101
(CHEMBL4474619)Show SMILES Cc1cc(n[nH]1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1S(N)(=O)=O |r| Show InChI InChI=1S/C22H26N6O4S/c1-13-11-18(27-26-13)14-7-9-15(10-8-14)20(29)16-5-3-4-6-17(16)21(30)25-19-12-24-28(2)22(19)33(23,31)32/h7-12,16-17H,3-6H2,1-2H3,(H,25,30)(H,26,27)(H2,23,31,32)/t16-,17-/m1/s1 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human KCNE1 by Ion-work electrophysiology assay |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50524103
(CHEMBL4563459)Show SMILES Cc1cc([nH]n1)-c1ccc(cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(C)c1C(=O)NOC(C)(C)C |r| Show InChI InChI=1S/C27H34N6O4/c1-16-14-21(31-30-16)17-10-12-18(13-11-17)24(34)19-8-6-7-9-20(19)25(35)29-22-15-28-33(5)23(22)26(36)32-37-27(2,3)4/h10-15,19-20H,6-9H2,1-5H3,(H,29,35)(H,30,31)(H,32,36)/t19-,20-/m1/s1 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human KCNE1 by Ion-work electrophysiology assay |
J Med Chem 62: 4312-4324 (2019)
Article DOI: 10.1021/acs.jmedchem.8b02004
BindingDB Entry DOI: 10.7270/Q25T3PXZ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50045830
(CHEMBL3314362)Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay |
J Med Chem 57: 5935-48 (2014)
Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50045831
(CHEMBL3314352)Show SMILES CN(C)Cc1ccc2CN(CCc2c1)C(=O)c1cc2cc(Br)ncc2n1C Show InChI InChI=1S/C21H23BrN4O/c1-24(2)12-14-4-5-16-13-26(7-6-15(16)8-14)21(27)18-9-17-10-20(22)23-11-19(17)25(18)3/h4-5,8-11H,6-7,12-13H2,1-3H3 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay |
J Med Chem 57: 5935-48 (2014)
Article DOI: 10.1021/jm401951t
BindingDB Entry DOI: 10.7270/Q2MP54W9 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50523773
(CHEMBL4475999)Show SMILES CCCN(CCC)[C@@H]([C@H](N(CCC)C[C@H](O)CO)c1ccccn1)c1ccccn1 |r| Show InChI InChI=1S/C24H38N4O2/c1-4-15-27(16-5-2)23(21-11-7-9-13-25-21)24(22-12-8-10-14-26-22)28(17-6-3)18-20(30)19-29/h7-14,20,23-24,29-30H,4-6,15-19H2,1-3H3/t20-,23+,24+/m0/s1 | PDB
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| n/a | n/a | >3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
Bioorg Med Chem Lett 29: 1241-1245 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E member 1
(Homo sapiens (Human)) | BDBM50523765
(CHEMBL4437013)Show SMILES CCCN(CC)[C@@H]([C@H](N(CC)CCC)c1ccccn1)c1ccccn1 |r| Show InChI InChI=1S/C22H34N4/c1-5-17-25(7-3)21(19-13-9-11-15-23-19)22(26(8-4)18-6-2)20-14-10-12-16-24-20/h9-16,21-22H,5-8,17-18H2,1-4H3/t21-,22-/m1/s1 | PDB
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of IKs (unknown origin) |
Bioorg Med Chem Lett 29: 1241-1245 (2019)
Article DOI: 10.1016/j.bmcl.2019.03.006
BindingDB Entry DOI: 10.7270/Q2J67MCP |
More data for this
Ligand-Target Pair | |
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