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BDBM179726 US9127001, 12b::US9598410, Compound 12b

SMILES: CC(c1ccc(F)cc1)n1nc(c2CN(CCc12)C(=O)N1CCOCC1)-c1ccc(F)cc1

InChI Key: InChIKey=LGGYNYOUXDCXCT-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 = 179726   
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))
BDBM179726
PNG
(US9127001, 12b | US9598410, Compound 12b)
Show SMILES CC(c1ccc(F)cc1)n1nc(c2CN(CCc12)C(=O)N1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O2/c1-17(18-2-6-20(26)7-3-18)31-23-10-11-30(25(32)29-12-14-33-15-13-29)16-22(23)24(28-31)19-4-8-21(27)9-5-19/h2-9,17H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 511n/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))
BDBM179726
PNG
(US9127001, 12b | US9598410, Compound 12b)
Show SMILES CC(c1ccc(F)cc1)n1nc(c2CN(CCc12)C(=O)N1CCOCC1)-c1ccc(F)cc1
Show InChI InChI=1S/C25H26F2N4O2/c1-17(18-2-6-20(26)7-3-18)31-23-10-11-30(25(32)29-12-14-33-15-13-29)16-22(23)24(28-31)19-4-8-21(27)9-5-19/h2-9,17H,10-16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 511n/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