Found 20 hits of Enzyme Inhibition Constant Data 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 |
|---|
Small conductance calcium-activated potassium channel protein 1
(Homo sapiens (Human)) | BDBM50092131
(1,7-diazonia-15,21-diazapentacyclo[20.6.2.27,14.08...)Show SMILES C1CCN[c+]2ccn(CCCCCn3cc[c+](NCC1)c1ccccc31)c1ccccc21 Show InChI InChI=1S/C28H34N4/c1-7-17-29-25-15-21-31(27-13-5-3-11-23(25)27)19-9-2-10-20-32-22-16-26(30-18-8-1)24-12-4-6-14-28(24)32/h3-6,11-16,21-22,29-30H,1-2,7-10,17-20H2/q+2 | PDB
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| CHEMBL
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of hSK1 calcium activated potassium channel (SKCa channel); Range is 1-2 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Small conductance calcium-activated potassium channel protein 1
(Homo sapiens (Human)) | BDBM50061977
(17,25-diazonia-2,9-diazaheptacyclo[23.6.2.24,7.210...)Show SMILES C1N[c+]2ccn(Cc3cccc(Cn4cc[c+](NCc5ccc1cc5)c1ccccc41)c3)c1ccccc21 Show InChI InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2/q+2 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of hSK1 calcium activated potassium channel (SKCa channel) |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB
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| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SUR1/Kir6.2 expressed in CHO cells |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Intermediate conductance calcium-activated potassium channel protein 4/Potassium voltage-gated channel subfamily E member 1/Potassium voltage-gated channel subfamily KQT member 1
(Homo sapiens (Human)) | BDBM50099566
((2-fluorophenyl)-(4-fluorophenyl)phenylacetamide |...)Show InChI InChI=1S/C20H15F2NO/c21-16-12-10-15(11-13-16)20(19(23)24,14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13H,(H2,23,24) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Selectivity for gardos channel; (Gardos channel vs 2000 nM for the cardiac IKs channel).) |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of hERG currents Kv11.1 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50099583
(5-isopropenyloxy-1b,3a,10b-trimethyl-2,3-di(methyl...)Show SMILES COC(=O)[C@@]12O[C@@H]1C(=C)CC1[C@@H]3CC[C@@]4(C)[C@@H]5C=CC(=O)OC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=C)[C@@H](OC(C)=O)[C@@H]4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C |c:18| Show InChI InChI=1S/C41H54O14/c1-19(2)50-33-30(52-23(6)43)31-37(9,28-13-14-29(46)49-18-40(28,33)21(4)51-22(5)42)16-15-26-27-17-20(3)32-41(55-32,36(47)48-12)39(27,11)35(54-25(8)45)34(38(26,31)10)53-24(7)44/h13-14,21,26-28,30-35H,1,3,15-18H2,2,4-12H3/t21-,26+,27?,28+,30+,31+,32-,33+,34-,35+,37+,38+,39+,40-,41+/m1/s1 | PDB
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| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.3 transfected CHO cells |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50099581
(CHEMBL288131 | N-((2R,3R)-3-(4-ethylphenylsulfonam...)Show SMILES CCc1ccc(cc1)S(=O)(=O)N[C@H]1[C@H](O)Cc2ccc(NC(=O)c3cccc(OC)c3)cc12 |r| Show InChI InChI=1S/C25H26N2O5S/c1-3-16-7-11-21(12-8-16)33(30,31)27-24-22-15-19(10-9-17(22)14-23(24)28)26-25(29)18-5-4-6-20(13-18)32-2/h4-13,15,23-24,27-28H,3,14H2,1-2H3,(H,26,29)/t23-,24-/m1/s1 | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.5 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
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 |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of IKs currents in Xenopus oocytes |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50099574
(2-(3,4-Dimethyl-phenyl)-3-[2-(4-methoxy-phenyl)-et...)Show InChI InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3 | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.5 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50012957
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SUR2A/Kir6.2 expressed in Xenopus oocytes |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50099574
(2-(3,4-Dimethyl-phenyl)-3-[2-(4-methoxy-phenyl)-et...)Show InChI InChI=1S/C20H23NO2S/c1-14-4-7-17(12-15(14)2)20-21(19(22)13-24-20)11-10-16-5-8-18(23-3)9-6-16/h4-9,12,20H,10-11,13H2,1-3H3 | PDB
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Abbott Laboratories
Curated by ChEMBL
| Assay Description
The inhibitory concentration for 50% was measured on cation flux |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50083518
(4'-Chloro-4-((E)-4-phenyl-but-1-enyl)-biphenyl-2-c...)Show SMILES CCNC(=O)c1cc(\C=C\CCc2ccccc2)ccc1-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H24ClNO/c1-2-27-25(28)24-18-20(11-7-6-10-19-8-4-3-5-9-19)12-17-23(24)21-13-15-22(26)16-14-21/h3-5,7-9,11-18H,2,6,10H2,1H3,(H,27,28)/b11-7+ | PDB
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| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro immunosuppression in stimulated T cells expressing Voltage-gated potassium channel subunit Kv1.3; Range is 1-10 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily D member 3
(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 | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
The inhibitory concentration for 50% was measured on potassium channel complex |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily E/KQT member 1
(Homo sapiens (Human)) | BDBM50099566
((2-fluorophenyl)-(4-fluorophenyl)phenylacetamide |...)Show InChI InChI=1S/C20H15F2NO/c21-16-12-10-15(11-13-16)20(19(23)24,14-6-2-1-3-7-14)17-8-4-5-9-18(17)22/h1-13H,(H2,23,24) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of Iks current KvLQT1 potassium channel |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50001786
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12 Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31) | PDB
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| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.5 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50099573
(1N-[4-methoxy-3-methylamino(thioxo)methylsulfamoyl...)Show SMILES CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC Show InChI InChI=1S/C19H22ClN3O5S2/c1-21-19(29)23-30(25,26)17-10-12(4-6-16(17)28-3)8-9-22-18(24)14-11-13(20)5-7-15(14)27-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,29) | PDB
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| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SUR2A/Kir6.2 expressed in Xenopus oocytes |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 8/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50099573
(1N-[4-methoxy-3-methylamino(thioxo)methylsulfamoyl...)Show SMILES CNC(=S)NS(=O)(=O)c1cc(CCNC(=O)c2cc(Cl)ccc2OC)ccc1OC Show InChI InChI=1S/C19H22ClN3O5S2/c1-21-19(29)23-30(25,26)17-10-12(4-6-16(17)28-3)8-9-22-18(24)14-11-13(20)5-7-15(14)27-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,29) | PDB
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| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human SUR1/Kir6.2 expressed in CHO cells |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50099576
(1-(4-Imidazol-1-yl-benzoyl)-cyclobutanecarbothioic...)Show InChI InChI=1S/C16H17N3OS/c1-17-15(21)16(7-2-8-16)14(20)12-3-5-13(6-4-12)19-10-9-18-11-19/h3-6,9-11H,2,7-8H2,1H3,(H,17,21) | PDB
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| n/a | n/a | n/a | 8.50E+3 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SUR2B/Kir6.2 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 3
(Homo sapiens (Human)) | BDBM50030522
(CHEMBL554816 | CHEMBL55791 | [1-Benzyl-7-chloro-1H...)Show InChI InChI=1S/C19H19ClN2/c1-2-11-21-18-10-12-22(14-15-6-4-3-5-7-15)19-13-16(20)8-9-17(18)19/h3-10,12-13H,2,11,14H2,1H3/b21-18+ | PDB
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| n/a | n/a | n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
In vitro immunosuppression in stimulated T cells expressing Voltage-gated potassium channel subunit Kv1.3 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
ATP-binding cassette sub-family C member 9/ATP-sensitive inward rectifier potassium channel 11
(Homo sapiens (Human)) | BDBM50099576
(1-(4-Imidazol-1-yl-benzoyl)-cyclobutanecarbothioic...)Show InChI InChI=1S/C16H17N3OS/c1-17-15(21)16(7-2-8-16)14(20)12-3-5-13(6-4-12)19-10-9-18-11-19/h3-6,9-11H,2,7-8H2,1H3,(H,17,21) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of SUR2B/Kir6.2 |
J Med Chem 44: 1627-53 (2001)
BindingDB Entry DOI: 10.7270/Q218376D |
More data for this
Ligand-Target Pair | |
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