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SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2C(C)OCCn12)c1ccccc1

InChI Key: InChIKey=HTYVUSVTXVUCTQ-JIUDAOPXSA-N

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 = 218547   
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))
BDBM218547
PNG
(US9284333, 16lg | US9884860, Example 16lg)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2C(C)OCCn12)c1ccccc1 |r|
Show InChI InChI=1S/C27H30FN3O3/c1-4-23(20-8-6-5-7-9-20)30-27(33)24-16-22(25-18(3)34-15-14-31(24)25)26(32)29-17(2)19-10-12-21(28)13-11-19/h5-13,16-18,23H,4,14-15H2,1-3H3,(H,29,32)(H,30,33)/t17-,18?,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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 US9884860 (2018)


BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel subfamily K member 3


(Homo sapiens (Human))
BDBM218547
PNG
(US9284333, 16lg | US9884860, Example 16lg)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)c2C(C)OCCn12)c1ccccc1 |r|
Show InChI InChI=1S/C27H30FN3O3/c1-4-23(20-8-6-5-7-9-20)30-27(33)24-16-22(25-18(3)34-15-14-31(24)25)26(32)29-17(2)19-10-12-21(28)13-11-19/h5-13,16-18,23H,4,14-15H2,1-3H3,(H,29,32)(H,30,33)/t17-,18?,23-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 46n/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 US9284333 (2016)


BindingDB Entry DOI: 10.7270/Q2FJ2FMC
More data for this
Ligand-Target Pair