Found 4 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)) | BDBM50238633
(CHEMBL4081080)Show SMILES N\C(CC(O)c1cc2c(F)cc(F)cc2c2cc(ccc12)C(F)(F)F)=N/N=C/c1ccc(F)cc1 Show InChI InChI=1S/C25H17F6N3O/c26-15-4-1-13(2-5-15)12-33-34-24(32)11-23(35)21-10-20-19(8-16(27)9-22(20)28)18-7-14(25(29,30)31)3-6-17(18)21/h1-10,12,23,35H,11H2,(H2,32,34)/b33-12+ | 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 | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 60: 6036-6044 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00140
BindingDB Entry DOI: 10.7270/Q24M96TQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM79214
(1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthr...)Show SMILES CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C26H30Cl2F3NO/c1-3-5-10-32(11-6-4-2)12-9-25(33)23-16-22-21(14-18(27)15-24(22)28)20-13-17(26(29,30)31)7-8-19(20)23/h7-8,13-16,25,33H,3-6,9-12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 156 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of 5-HT uptake in rat synaptosomal fraction |
J Med Chem 60: 6036-6044 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00140
BindingDB Entry DOI: 10.7270/Q24M96TQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50238630
(CHEBI:156095 | Lumefantrine)Show SMILES CCCCN(CCCC)CC(O)c1cc(Cl)cc2\C(=C/c3ccc(Cl)cc3)c3cc(Cl)ccc3-c12 Show InChI InChI=1S/C30H32Cl3NO/c1-3-5-13-34(14-6-4-2)19-29(35)28-18-23(33)17-27-25(15-20-7-9-21(31)10-8-20)26-16-22(32)11-12-24(26)30(27)28/h7-12,15-18,29,35H,3-6,13-14,19H2,1-2H3/b25-15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 377 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of noradrenaline uptake in rat synaptosomal fraction |
J Med Chem 60: 6036-6044 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00140
BindingDB Entry DOI: 10.7270/Q24M96TQ |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50238629
(CHEMBL4105332)Show SMILES CCN(CC)Cc1cc(\C=N\N=C(/N)CC(O)c2cc3c(F)cc(F)cc3c3cc(ccc23)C(F)(F)F)ccc1O Show InChI InChI=1S/C30H29F5N4O2/c1-3-39(4-2)16-18-9-17(5-8-27(18)40)15-37-38-29(36)14-28(41)25-13-24-23(11-20(31)12-26(24)32)22-10-19(30(33,34)35)6-7-21(22)25/h5-13,15,28,40-41H,3-4,14,16H2,1-2H3,(H2,36,38)/b37-15+ | 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 | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by fluorescence polarization assay |
J Med Chem 60: 6036-6044 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00140
BindingDB Entry DOI: 10.7270/Q24M96TQ |
More data for this
Ligand-Target Pair | |
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