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BDBM50095780 CHEMBL3590466

SMILES: [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C

InChI Key: InChIKey=ZCADNUAMGGLQKM-UHFFFAOYSA-M

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50095780   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095780
PNG
(CHEMBL3590466)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C
Show InChI InChI=1S/C26H48N.CHF3O3S/c1-4-6-8-10-12-14-16-18-21-25-23-20-24-26(27(25)3)22-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h20,23-24H,4-19,21-22H2,1-3H3;(H,5,6,7)/q+1;/p-1
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MMDB

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Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human Kv11.1 expressed in HEK293 cell membranes by competitive radioligand displacement assay


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50095780
PNG
(CHEMBL3590466)
Show SMILES [O-]S(=O)(=O)C(F)(F)F.CCCCCCCCCCc1cccc(CCCCCCCCCC)[n+]1C
Show InChI InChI=1S/C26H48N.CHF3O3S/c1-4-6-8-10-12-14-16-18-21-25-23-20-24-26(27(25)3)22-19-17-15-13-11-9-7-5-2;2-1(3,4)8(5,6)7/h20,23-24H,4-19,21-22H2,1-3H3;(H,5,6,7)/q+1;/p-1
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/an/an/a 37n/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Binding affinity to human Kv11.1 expressed in HEK293 cell membranes assessed as binding affinity constant by [3H]dofetilide competition association a...


J Med Chem 58: 5916-29 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00518
BindingDB Entry DOI: 10.7270/Q2FX7C6V
More data for this
Ligand-Target Pair