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BDBM218554 US9284333, 16ln::US9884860, Example 16ln

SMILES: COC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)n2CCOCc12

InChI Key: InChIKey=OUDMNRXDROKPJS-DMCKPQHPNA-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 = 218554   
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))
BDBM218554
PNG
(US9284333, 16ln | US9884860, Example 16ln)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)n2CCOCc12
Show InChI InChI=1/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)/t19-,22-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/a 140n/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)


Article DOI: 10.1021/jm040037k
BindingDB Entry DOI: 10.7270/Q2862JGT
More data for this
Ligand-Target Pair
Potassium channel protein TASK-1


(Homo sapiens (Human))
BDBM218554
PNG
(US9284333, 16ln | US9884860, Example 16ln)
Show SMILES COC(=O)[C@H]1CCCN1C(=O)c1cc(C(=O)N[C@H](C(C)C)c2ccc(F)cc2)n2CCOCc12
Show InChI InChI=1/C25H30FN3O5/c1-15(2)22(16-6-8-17(26)9-7-16)27-23(30)20-13-18(21-14-34-12-11-28(20)21)24(31)29-10-4-5-19(29)25(32)33-3/h6-9,13,15,19,22H,4-5,10-12,14H2,1-3H3,(H,27,30)/t19-,22-/s2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 140n/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