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BDBM218431 US9284333, 16gl

InChI string: InChI=1/C26H28FN3O3/c1-3-22(19-7-5-4-6-8-19)29-25(31)21-15-23(30-13-14-33-16-24(21)30)26(32)28-17(2)18-9-11-20(27)12-10-18/h4-12,15,17,22H,3,13-14,16H2,1-2H3,(H,28,32)(H,29,31)/t17-,22-/s2

SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccccc1

InChI Key: InChIKey=CPUSJWTZQXTAPI-LQPSJYAFNA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 218431   
Target
(Institution)
LigandTarget
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))
BDBM218431
PNG
(US9284333, 16gl)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CCOCc12)c1ccccc1
Show InChI InChI=1/C26H28FN3O3/c1-3-22(19-7-5-4-6-8-19)29-25(31)21-15-23(30-13-14-33-16-24(21)30)26(32)28-17(2)18-9-11-20(27)12-10-18/h4-12,15,17,22H,3,13-14,16H2,1-2H3,(H,28,32)(H,29,31)/t17-,22-/s2
KEGG

UniProtKB/SwissProt

DrugBank
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PC cid
PC sid
UniChem
AffyNet 
US Patent
n/an/a 42n/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 defoliculated. Subsequently,...


US Patent US9284333 (2016)

More data for this
Ligand-Target Pair