Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50046547 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)) | BDBM50118105
(CHEMBL3613443)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H34FN3O2/c1-17(2)25(16-30-10-8-18(9-11-30)19-4-3-5-22(27)12-19)29-26(32)24-14-20-6-7-23(31)13-21(20)15-28-24/h3-7,12-13,17-18,24-25,28,31H,8-11,14-16H2,1-2H3,(H,29,32)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 436 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118112
(CHEMBL3613444)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H35N3O2/c1-18(2)25(17-29-12-10-20(11-13-29)19-6-4-3-5-7-19)28-26(31)24-15-21-8-9-23(30)14-22(21)16-27-24/h3-9,14,18,20,24-25,27,30H,10-13,15-17H2,1-2H3,(H,28,31)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 777 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118110
(CHEMBL3613449)Show SMILES CCC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H38FN3O2/c1-4-19(2)26(31-27(34)25-15-20-8-9-24(33)14-21(20)17-30-25)18-32-12-10-28(3,11-13-32)22-6-5-7-23(29)16-22/h5-9,14,16,19,25-26,30,33H,4,10-13,15,17-18H2,1-3H3,(H,31,34)/t19?,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118111
(CHEMBL3613442)Show SMILES CC(C)[C@@H](CN1CCC(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C26H35N3O3/c1-17(2)25(16-29-10-8-18(9-11-29)19-4-3-5-22(30)12-19)28-26(32)24-14-20-6-7-23(31)13-21(20)15-27-24/h3-7,12-13,17-18,24-25,27,30-31H,8-11,14-16H2,1-2H3,(H,28,32)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118109
(CHEMBL3613448)Show SMILES CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C27H36FN3O2/c1-18(2)25(30-26(33)24-14-19-7-8-23(32)13-20(19)16-29-24)17-31-11-9-27(3,10-12-31)21-5-4-6-22(28)15-21/h4-8,13,15,18,24-25,29,32H,9-12,14,16-17H2,1-3H3,(H,30,33)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 4.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118107
(CHEMBL3613446)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(F)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H38FN3O2/c1-18(2)26(31-27(34)25-13-20-8-9-24(33)12-21(20)15-30-25)17-32-11-10-28(4,19(3)16-32)22-6-5-7-23(29)14-22/h5-9,12,14,18-19,25-26,30,33H,10-11,13,15-17H2,1-4H3,(H,31,34)/t19-,25+,26+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 6.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118106
(CHEMBL3613445)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1ccccc1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O2/c1-19(2)26(30-27(33)25-15-21-10-11-24(32)14-22(21)16-29-25)18-31-13-12-28(4,20(3)17-31)23-8-6-5-7-9-23/h5-11,14,19-20,25-26,29,32H,12-13,15-18H2,1-4H3,(H,30,33)/t20-,25+,26+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 7.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50130563
((3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphe...)Show SMILES CC(C)[C@@H](CN1CC[C@](C)([C@@H](C)C1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C28H39N3O3/c1-18(2)26(30-27(34)25-13-20-8-9-24(33)12-21(20)15-29-25)17-31-11-10-28(4,19(3)16-31)22-6-5-7-23(32)14-22/h5-9,12,14,18-19,25-26,29,32-33H,10-11,13,15-17H2,1-4H3,(H,30,34)/t19-,25+,26+,28+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 8.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50118108
(CHEMBL3613447)Show SMILES CC(C)[C@@H](CN1CCC(C)(CC1)c1cccc(O)c1)NC(=O)[C@H]1Cc2ccc(O)cc2CN1 |r| Show InChI InChI=1S/C27H37N3O3/c1-18(2)25(29-26(33)24-14-19-7-8-23(32)13-20(19)16-28-24)17-30-11-9-27(3,10-12-30)21-5-4-6-22(31)15-21/h4-8,13,15,18,24-25,28,31-32H,9-12,14,16-17H2,1-3H3,(H,29,33)/t24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]-astemizole from human ERG |
Bioorg Med Chem 23: 6379-88 (2015)
Article DOI: 10.1016/j.bmc.2015.08.025
BindingDB Entry DOI: 10.7270/Q2C24Z7Z |
More data for this
Ligand-Target Pair | |
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