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BDBM179698 US9127001, 8e::US9598410, Compound 8e

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

InChI Key: InChIKey=HHFPRKUULCNJSE-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 = 179698   
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))
BDBM179698
PNG
(US9127001, 8e | US9598410, Compound 8e)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H22F2N4O3S/c1-38(36,37)23-7-3-6-20(13-23)28(35)33-11-10-26-24(17-33)27(19-5-2-4-18(12-19)15-31)32-34(26)16-21-8-9-22(29)14-25(21)30/h2-9,12-14H,10-11,16-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.63E+3n/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))
BDBM179698
PNG
(US9127001, 8e | US9598410, Compound 8e)
Show SMILES CS(=O)(=O)c1cccc(c1)C(=O)N1CCc2c(C1)c(nn2Cc1ccc(F)cc1F)-c1cccc(c1)C#N
Show InChI InChI=1S/C28H22F2N4O3S/c1-38(36,37)23-7-3-6-20(13-23)28(35)33-11-10-26-24(17-33)27(19-5-2-4-18(12-19)15-31)32-34(26)16-21-8-9-22(29)14-25(21)30/h2-9,12-14H,10-11,16-17H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.63E+3n/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