Found 24 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 A member 5
(Homo sapiens (Human)) | BDBM50199068
(3-cyano-N-(2-hydroxyethyl)-6-methoxy-4-phenylisoqu...)Show SMILES COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO Show InChI InChI=1S/C20H17N3O3/c1-26-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23-19(15)20(25)22-9-10-24/h2-8,11,24H,9-10H2,1H3,(H,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199064
(2-{3-hydroxy-2-[(pyridin-3-ylmethyl)amino]propyl}-...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(CC(CO)NCc1cccnc1)c2=O Show InChI InChI=1S/C26H24N4O3/c1-33-21-9-10-22-23(12-21)25(19-7-3-2-4-8-19)24(13-27)30(26(22)32)16-20(17-31)29-15-18-6-5-11-28-14-18/h2-12,14,20,29,31H,15-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199066
(1-{[(2R)-2,3-dihydroxypropyl]oxy}-6-methoxy-4-phen...)Show SMILES COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199065
(3-((dimethylamino)methyl)-6-methoxy-2-methyl-4-phe...)Show InChI InChI=1S/C20H22N2O2/c1-21(2)13-18-19(14-8-6-5-7-9-14)17-12-15(24-4)10-11-16(17)20(23)22(18)3/h5-12H,13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199069
(2-(2,3-dihydroxypropyl)-6-methoxy-1-oxo-4-[3-(trif...)Show SMILES COc1ccc2c(c1)c(-c1cccc(c1)C(F)(F)F)c(C#N)n(CC(O)CO)c2=O Show InChI InChI=1S/C21H17F3N2O4/c1-30-15-5-6-16-17(8-15)19(12-3-2-4-13(7-12)21(22,23)24)18(9-25)26(20(16)29)10-14(28)11-27/h2-8,14,27-28H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199060
(4-(3-fluorophenyl)-6-methoxy-1-(4-methyl-1H-imidaz...)Show SMILES COc1ccc2c(nc(C#N)c(-c3cccc(F)c3)c2c1)-n1cnc(C)c1 Show InChI InChI=1S/C21H15FN4O/c1-13-11-26(12-24-13)21-17-7-6-16(27-2)9-18(17)20(19(10-23)25-21)14-4-3-5-15(22)8-14/h3-9,11-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199062
(1-{[(2S)-2,3-dihydroxypropyl]amino}-6-methoxy-4-ph...)Show SMILES COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 680 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199067
(4-(3-fluorophenyl)-2-(2-hydroxyethyl)-6-methoxy-1-...)Show SMILES COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CCO)c2=O Show InChI InChI=1S/C19H15FN2O3/c1-25-14-5-6-15-16(10-14)18(12-3-2-4-13(20)9-12)17(11-21)22(7-8-23)19(15)24/h2-6,9-10,23H,7-8H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199063
(4-(3-fluorophenyl)-6-methoxy-2-{2-[(2-methoxyethyl...)Show SMILES COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O Show InChI InChI=1S/C23H24FN3O3/c1-26(11-12-29-2)9-10-27-21(15-25)22(16-5-4-6-17(24)13-16)20-14-18(30-3)7-8-19(20)23(27)28/h4-8,13-14H,9-12H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199071
(2-(2,3-dihydroxypropyl)-4-(3-fluorophenyl)-6-metho...)Show SMILES COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CC(O)CO)c2=O Show InChI InChI=1S/C20H17FN2O4/c1-27-15-5-6-16-17(8-15)19(12-3-2-4-13(21)7-12)18(9-22)23(20(16)26)10-14(25)11-24/h2-8,14,24-25H,10-11H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199070
(2-[(2S)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phe...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@H](O)CO)c2=O Show InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily A member 5
(Homo sapiens (Human)) | BDBM50199061
(2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phe...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@@H](O)CO)c2=O Show InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity at human Kv1.5 channel expressed in CHO cell membrane by HT clamp assay |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199063
(4-(3-fluorophenyl)-6-methoxy-2-{2-[(2-methoxyethyl...)Show SMILES COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O Show InChI InChI=1S/C23H24FN3O3/c1-26(11-12-29-2)9-10-27-21(15-25)22(16-5-4-6-17(24)13-16)20-14-18(30-3)7-8-19(20)23(27)28/h4-8,13-14H,9-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199065
(3-((dimethylamino)methyl)-6-methoxy-2-methyl-4-phe...)Show InChI InChI=1S/C20H22N2O2/c1-21(2)13-18-19(14-8-6-5-7-9-14)17-12-15(24-4)10-11-16(17)20(23)22(18)3/h5-12H,13H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199064
(2-{3-hydroxy-2-[(pyridin-3-ylmethyl)amino]propyl}-...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(CC(CO)NCc1cccnc1)c2=O Show InChI InChI=1S/C26H24N4O3/c1-33-21-9-10-22-23(12-21)25(19-7-3-2-4-8-19)24(13-27)30(26(22)32)16-20(17-31)29-15-18-6-5-11-28-14-18/h2-12,14,20,29,31H,15-17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199062
(1-{[(2S)-2,3-dihydroxypropyl]amino}-6-methoxy-4-ph...)Show SMILES COc1ccc2c(NC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C20H19N3O3/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)23-20(16)22-11-14(25)12-24/h2-9,14,24-25H,11-12H2,1H3,(H,22,23)/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199069
(2-(2,3-dihydroxypropyl)-6-methoxy-1-oxo-4-[3-(trif...)Show SMILES COc1ccc2c(c1)c(-c1cccc(c1)C(F)(F)F)c(C#N)n(CC(O)CO)c2=O Show InChI InChI=1S/C21H17F3N2O4/c1-30-15-5-6-16-17(8-15)19(12-3-2-4-13(7-12)21(22,23)24)18(9-25)26(20(16)29)10-14(28)11-27/h2-8,14,27-28H,10-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199066
(1-{[(2R)-2,3-dihydroxypropyl]oxy}-6-methoxy-4-phen...)Show SMILES COc1ccc2c(OC[C@H](O)CO)nc(C#N)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C20H18N2O4/c1-25-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22-20(16)26-12-14(24)11-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199060
(4-(3-fluorophenyl)-6-methoxy-1-(4-methyl-1H-imidaz...)Show SMILES COc1ccc2c(nc(C#N)c(-c3cccc(F)c3)c2c1)-n1cnc(C)c1 Show InChI InChI=1S/C21H15FN4O/c1-13-11-26(12-24-13)21-17-7-6-16(27-2)9-18(17)20(19(10-23)25-21)14-4-3-5-15(22)8-14/h3-9,11-12H,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199068
(3-cyano-N-(2-hydroxyethyl)-6-methoxy-4-phenylisoqu...)Show SMILES COc1ccc2c(nc(C#N)c(-c3ccccc3)c2c1)C(=O)NCCO Show InChI InChI=1S/C20H17N3O3/c1-26-14-7-8-15-16(11-14)18(13-5-3-2-4-6-13)17(12-21)23-19(15)20(25)22-9-10-24/h2-8,11,24H,9-10H2,1H3,(H,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199071
(2-(2,3-dihydroxypropyl)-4-(3-fluorophenyl)-6-metho...)Show SMILES COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CC(O)CO)c2=O Show InChI InChI=1S/C20H17FN2O4/c1-27-15-5-6-16-17(8-15)19(12-3-2-4-13(21)7-12)18(9-22)23(20(16)26)10-14(25)11-24/h2-8,14,24-25H,10-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199067
(4-(3-fluorophenyl)-2-(2-hydroxyethyl)-6-methoxy-1-...)Show SMILES COc1ccc2c(c1)c(-c1cccc(F)c1)c(C#N)n(CCO)c2=O Show InChI InChI=1S/C19H15FN2O3/c1-25-14-5-6-15-16(10-14)18(12-3-2-4-13(20)9-12)17(11-21)22(7-8-23)19(15)24/h2-6,9-10,23H,7-8H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199061
(2-[(2R)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phe...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@@H](O)CO)c2=O Show InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50199070
(2-[(2S)-2,3-dihydroxypropyl]-6-methoxy-1-oxo-4-phe...)Show SMILES COc1ccc2c(c1)c(-c1ccccc1)c(C#N)n(C[C@H](O)CO)c2=O Show InChI InChI=1S/C20H18N2O4/c1-26-15-7-8-16-17(9-15)19(13-5-3-2-4-6-13)18(10-21)22(20(16)25)11-14(24)12-23/h2-9,14,23-24H,11-12H2,1H3/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.35E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to hERG potassium channel |
J Med Chem 49: 6954-7 (2006)
Article DOI: 10.1021/jm060927v
BindingDB Entry DOI: 10.7270/Q2ST7PG7 |
More data for this
Ligand-Target Pair | |
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