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BDBM179706 US9127001, 8m::US9598410, Compound 8m

SMILES: Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCOC2)-c2cccc(c2)C#N)c(F)c1

InChI Key: InChIKey=HUFBPECTFKXABN-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 = 179706   
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 protein TASK-1


(Homo sapiens (Human))
BDBM179706
PNG
(US9127001, 8m | US9598410, Compound 8m)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCOC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O2/c26-20-5-4-18(22(27)11-20)13-31-23-6-8-30(25(32)19-7-9-33-15-19)14-21(23)24(29-31)17-3-1-2-16(10-17)12-28/h1-5,10-11,19H,6-9,13-15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 890n/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 protein TASK-1


(Homo sapiens (Human))
BDBM179706
PNG
(US9127001, 8m | US9598410, Compound 8m)
Show SMILES Fc1ccc(Cn2nc(c3CN(CCc23)C(=O)C2CCOC2)-c2cccc(c2)C#N)c(F)c1
Show InChI InChI=1S/C25H22F2N4O2/c26-20-5-4-18(22(27)11-20)13-31-23-6-8-30(25(32)19-7-9-33-15-19)14-21(23)24(29-31)17-3-1-2-16(10-17)12-28/h1-5,10-11,19H,6-9,13-15H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 890n/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