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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Potassium channel subfamily K member 3' and Ligand = 'BDBM218461'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM218461
PNG
(US9284333, 16hw | US9884860, Example 16hw)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cnccn2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-3-19(17-8-6-5-7-9-17)28-24(31)18-14-22(30-12-13-33-16-23(18)30)25(32)29-20(4-2)21-15-26-10-11-27-21/h5-11,14-15,19-20H,3-4,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM218461
PNG
(US9284333, 16hw | US9884860, Example 16hw)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](CC)c2cnccn2)n2CCOCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-3-19(17-8-6-5-7-9-17)28-24(31)18-14-22(30-12-13-33-16-23(18)30)25(32)29-20(4-2)21-15-26-10-11-27-21/h5-11,14-15,19-20H,3-4,12-13,16H2,1-2H3,(H,28,31)(H,29,32)/t19-,20-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 360n/an/an/an/an/a25



Sanofi

US Patent


Assay Description
Human TASK-1 channels were expressed in Xenopus oocytes. For this purpose, oocytes were isolated from Xenopus laevis and defoliculated. Subsequently,...


US Patent US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair