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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 = 'BDBM179662'   
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))
BDBM179662
PNG
(US9127001, 6ap | US9598410, Compound 6ap)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H18F5N3O2/c1-13(31)29-8-7-20-18(12-29)21(14-3-2-4-17(9-14)32-22(25,26)27)28-30(20)11-15-5-6-16(23)10-19(15)24/h2-6,9-10H,7-8,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 285n/an/an/an/an/an/a



SANOFI

US Patent


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


US Patent US9598410 (2017)


BindingDB Entry DOI: 10.7270/Q2377BRM
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM179662
PNG
(US9127001, 6ap | US9598410, Compound 6ap)
Show SMILES CC(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C22H18F5N3O2/c1-13(31)29-8-7-20-18(12-29)21(14-3-2-4-17(9-14)32-22(25,26)27)28-30(20)11-15-5-6-16(23)10-19(15)24/h2-6,9-10H,7-8,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 285n/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 US9127001 (2015)


BindingDB Entry DOI: 10.7270/Q2HM576Z
More data for this
Ligand-Target Pair