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BDBM179708 US9127001, 8o::US9598410, Compound 8o

SMILES: CC(C)(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N

InChI Key: InChIKey=BQSKDQBFAHBRND-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 179708   
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 channel subfamily K member 3


(Homo sapiens (Human))
BDBM179708
PNG
(US9127001, 8o | US9598410, Compound 8o)
Show SMILES CC(C)(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24F2N4O/c1-25(2,3)24(32)30-10-9-22-20(15-30)23(17-6-4-5-16(11-17)13-28)29-31(22)14-18-7-8-19(26)12-21(18)27/h4-8,11-12H,9-10,14-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 131n/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))
BDBM179708
PNG
(US9127001, 8o | US9598410, Compound 8o)
Show SMILES CC(C)(C)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C25H24F2N4O/c1-25(2,3)24(32)30-10-9-22-20(15-30)23(17-6-4-5-16(11-17)13-28)29-31(22)14-18-7-8-19(26)12-21(18)27/h4-8,11-12H,9-10,14-15H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 131n/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