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SMILES: CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1

InChI Key: InChIKey=ZGCYPKCFYMWAMN-IIBYNOLFSA-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 = 218540   
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))
BDBM218540
PNG
(US9284333, 16ky | US9884860, Example 16ky)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-24(30)20-13-22(29-15-32-14-23(20)29)25(31)27-16(2)17-9-11-19(26)12-10-17/h4-13,16,21H,3,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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))
BDBM218540
PNG
(US9284333, 16ky | US9884860, Example 16ky)
Show SMILES CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)n2CSCc12)c1ccccc1 |r|
Show InChI InChI=1S/C25H26FN3O2S/c1-3-21(18-7-5-4-6-8-18)28-24(30)20-13-22(29-15-32-14-23(20)29)25(31)27-16(2)17-9-11-19(26)12-10-17/h4-13,16,21H,3,14-15H2,1-2H3,(H,27,31)(H,28,30)/t16-,21-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 33n/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