Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50037916 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 H member 2
(Homo sapiens (Human)) | BDBM24226
(1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxypheny...)Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 Show InChI InChI=1S/C28H31FN4O/c1-34-25-12-8-21(9-13-25)14-17-32-18-15-24(16-19-32)30-28-31-26-4-2-3-5-27(26)33(28)20-22-6-10-23(29)11-7-22/h2-13,24H,14-20H2,1H3,(H,30,31) | PDB
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| DrugBank
Article
PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50031720
((Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-p...)Show SMILES CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 Show InChI InChI=1S/C19H27N3O5S2/c1-22(13-12-16-4-6-17(7-5-16)20-28(2,23)24)14-15-27-19-10-8-18(9-11-19)21-29(3,25)26/h4-11,20-21H,12-15H2,1-3H3 | PDB
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PC sid
UniChem
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| DrugBank
Article
PubMed
| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117930
((4-{1-[2-(6-Methyl-pyridin-2-yl)-ethyl]-piperidine...)Show SMILES Cc1cccc(CCN2CCC(CC2)C(=O)c2ccc(NS(C)(=O)=O)cc2)n1 Show InChI InChI=1S/C21H27N3O3S/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27/h3-9,18,23H,10-15H2,1-2H3 | PDB
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| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM78577
(BEPRIDIL HYDROCHLORIDE | Bepridil | MLS000028456 |...)Show InChI InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3 | PDB
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| Article
PubMed
| 184 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50117922
((1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)...)Show SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| Show InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1 | PDB
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| Article
PubMed
| 190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50001884
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3 | PDB
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| Article
PubMed
| 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Binding affinity at hERG expressed in HEK293 cells by fluorescence polarization assay |
J Med Chem 50: 2931-41 (2007)
Article DOI: 10.1021/jm0700565
BindingDB Entry DOI: 10.7270/Q2736RR2 |
More data for this
Ligand-Target Pair | |
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