Found 8 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 |
|---|
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169085
(CHEMBL3805898)Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)c2nonc12 Show InChI InChI=1S/C29H31FN8O3/c30-21-9-7-20(8-10-21)19-37-25-6-2-1-5-23(25)33-29(37)32-22-13-17-36(18-14-22)16-4-3-15-31-24-11-12-26(38(39)40)28-27(24)34-41-35-28/h1-2,5-12,22,31H,3-4,13-19H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169084
(CHEMBL3805335)Show SMILES CC(=O)Nc1ccc2C(=O)N(CCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)C(=O)c3cccc1c23 Show InChI InChI=1S/C37H37FN6O3/c1-24(45)39-31-16-15-30-34-28(31)7-6-8-29(34)35(46)43(36(30)47)20-5-4-19-42-21-17-27(18-22-42)40-37-41-32-9-2-3-10-33(32)44(37)23-25-11-13-26(38)14-12-25/h2-3,6-16,27H,4-5,17-23H2,1H3,(H,39,45)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 91 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169086
(CHEMBL3804918)Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C37H43FN6O3/c1-3-43(4-2)30-16-13-27-23-31(36(46)47-34(27)24-30)35(45)39-19-7-8-20-42-21-17-29(18-22-42)40-37-41-32-9-5-6-10-33(32)44(37)25-26-11-14-28(38)15-12-26/h5-6,9-16,23-24,29H,3-4,7-8,17-22,25H2,1-2H3,(H,39,45)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 217 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
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
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169085
(CHEMBL3805898)Show SMILES [O-][N+](=O)c1ccc(NCCCCN2CCC(CC2)Nc2nc3ccccc3n2Cc2ccc(F)cc2)c2nonc12 Show InChI InChI=1S/C29H31FN8O3/c30-21-9-7-20(8-10-21)19-37-25-6-2-1-5-23(25)33-29(37)32-22-13-17-36(18-14-22)16-4-3-15-31-24-11-12-26(38(39)40)28-27(24)34-41-35-28/h1-2,5-12,22,31H,3-4,13-19H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169084
(CHEMBL3805335)Show SMILES CC(=O)Nc1ccc2C(=O)N(CCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)C(=O)c3cccc1c23 Show InChI InChI=1S/C37H37FN6O3/c1-24(45)39-31-16-15-30-34-28(31)7-6-8-29(34)35(46)43(36(30)47)20-5-4-19-42-21-17-27(18-22-42)40-37-41-32-9-2-3-10-33(32)44(37)23-25-11-13-26(38)14-12-25/h2-3,6-16,27H,4-5,17-23H2,1H3,(H,39,45)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 182 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50169086
(CHEMBL3804918)Show SMILES CCN(CC)c1ccc2cc(C(=O)NCCCCN3CCC(CC3)Nc3nc4ccccc4n3Cc3ccc(F)cc3)c(=O)oc2c1 Show InChI InChI=1S/C37H43FN6O3/c1-3-43(4-2)30-16-13-27-23-31(36(46)47-34(27)24-30)35(45)39-19-7-8-20-42-21-17-29(18-22-42)40-37-41-32-9-5-6-10-33(32)44(37)25-26-11-14-28(38)15-12-26/h5-6,9-16,23-24,29H,3-4,7-8,17-22,25H2,1-2H3,(H,39,45)(H,40,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 434 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description
Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cell membranes incubated for 2 hrs by scintillation counting analysis |
ACS Med Chem Lett 7: 245-9 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00360
BindingDB Entry DOI: 10.7270/Q25Q4Z0H |
More data for this
Ligand-Target Pair | |
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